Summary
Understanding the role of the electron dynamics in the photochemistry of bio-chemically relevant molecules is key to getting access to the fundamental physical processes leading to damage, mutation and, more generally, to the alteration of the final biological functions. Sudden ionization of a large molecule has been proven to activate a sub-femtosecond charge flow throughout the molecular backbone, purely guided by electronic coherences, which could ultimately affect the photochemical response of the molecule at later times. We can follow this ultrafast charge flow in real time by exploiting the extreme time resolution provided by attosecond light sources. In this work recent advances in attosecond molecular physics are presented with particular focus on the investigation of bio-relevant molecules.
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References
Cederbaum L. and Zobeley J., Ultrafast charge migration by electron correlation, Chem. Phys. Lett., 307 (1999) 205. doi:https://doi.org/10.1016/S0009-2614(99)00508-4.
Hennig H., Breidbach J. and Cederbaum L. S., Electron Correlation as the Driving Force for Charge Transfer: Charge Migration Following Ion ization in N-Methyl Acetamide, J. Phys. Chem. A, 109 (2005) 409. doi:https://doi.org/10.1021/jp046232s.
Remacle F. and Levine R. D., An electronic time scale in chemistry, Proc. Natl. Acad. Sci. U.S.A., 103 (2006) 6793. doi:https://doi.org/10.1073/pnas.0601855103.
Breidbach J. and Cederbaum L. S., Migration of holes: Numerical algorithms and implementation, J. Chem. Phys., 126 (2007) 1. doi:https://doi.org/10.1063/1.2428292.
Kuleff A. I. and Cederbaum L. S., Ultrafast correlation-driven electron dynamics, J. Phys. B: At. Mol. Opt. Phys., 47 (2014) 124002. doi:https://doi.org/10.1088/0953-4075/47/12/124002.
Lépine F., Ivanov M. Y. and Vrakking M. J. J., Attosecond molecular dynamcis: fact or fiction?, Nat. Photon., 8 (2014) 195. doi:https://doi.org/10.1038/nphoton.2014.25.
Li Z., Vendrell O. and Santra R., Ultrafast charge transfer of a valence double hole in glycine driven exclusively by nuclear motion, Phys. Rev. Lett., 115 (2015) 143002. doi:https://doi.org/10.1103/PhysRevLett.115.143002.
Krausz F. and Ivanov M., Attosecond Physics, Rev. Mod. Phys., 81 (2009) 163. doi:https://doi.org/10.1103/RevModPhys.81.163.
Nisoli M., Decleva P., Calegari F., Palacios A. and Martn F., Attosecond electron dynamics in molecules, Chem. Rev., 117 (2017) 10760. doi:https://doi.org/10.1021/acs.chemrev.6b00453.
Sansone G., Poletto L. and Nisoli M., High-Energy Attosecond Light Sources, Nat. Photon., 5 (2011) 655. doi:https://doi.org/10.1038/nphoton.2011.167.
Calegari F., Sansone G., Stagira S., Vozzi C. and Nisoli M., Advances in attosecond science, J. Phys. B: At. Mol. Opt. Phys., 49 (2016) 062001.
Hentschel M., Kienberger R., Spielmann C., Reider G. A., Milosevic N., Brabec T., Corkum P., Heinzmann U., Drescher M. and Krausz F., Attosecond metrology, Nature, 414 (2001) 509. doi:https://doi.org/10.1038/35107000.
Goulielmakis E., Schultze M., Hofstetter M., Yakovlev V. S., Gagnon J., Uiberacker M., Aquila A. L., Gullikson E. M., Attwood D. T. and Kienberger R. et al., Single-cycle nonlinear optics, Science, 320 (2008) 1614. arXiv:http://science.sciencemag.org/content/320/5883/1614.full.pdf, doi:https://doi.org/10.1126/science.1157846.
Corkum P. B., Burnett N. H. and Ivanov M. Y., Subfemtosecond pulses, Opt. Lett. 19 (1994) 1870. doi:https://doi.org/10.1364/OL.19.001870.
Sola I., Mével E., Elouga L., Constant E., Strelkov V., Poletto L., Villoresi P., Benedetti E., Caumes J. P. and Stagira S. et al., Controlling attosecond electron dynamics by phase-stabilized polarization gating, Nat. Phys., 2 (2006) 319.
Sansone G., Benedetti E., Calegari F., Vozzi C., Avaldi L., Flammini R., Poletto L., Villoresi P., Altucci C. and Velotta R. et al., Isolated single-cycle attosecond pulses, Science, 314 (2006) 443. arXiv:http://science.sciencemag.org/content/314/5798/443.full.pdf, doi:https://doi.org/10.1126/science.1132838.
Chang Z., Controlling attosecond pulse generation with a double optical gating, Phys. Rev. A, 76 (2007) 051403. doi:https://doi.org/10.1103/PhysRevA.76.051403.
Mashiko H., Gilbertson S., Li C., Khan S. D., Shakya M. M., Moon E. and Chang Z., Double Optical Gating of High-Order Harmonic Generation with Carrier-Envelope Phase Stabilized Lasers, Phys. Rev. Lett., 100 (2008) 103906. doi:https://doi.org/10.1103/PhysRevLett.100.103906.
Feng X., Gilbertson S., Mashiko H., Wang H., Khan S. D., Chini M., Wu Y., Zhao K. and Chang Z., Generation of isolated attosecond pulses with 20 to 28 femtosecond lasers, Phys. Rev. Lett., 103 (2009) 183901. doi:https://doi.org/10.1103/PhysRevLett.103.183901.
Ferrari F., Calegari F., Lucchini M., Vozzi C., Stagira S., Sansone G. and Nisoli M., High-Energy Isolated Attosecond Pulses Generated by Above-Saturation Few-Cycle Fields, Nat. Photon., 4 (2010) 875.
Wirth A., Hassan M. T., Grguraš I., Gagnon J., Moulet A., Luu T. T., Pabst S., Santra R., Alahmed Z. A. and Azzeer A. M. et al., Synthesized light transients, Science, 334 (2011) 195. arXiv:http://science.sciencemag.org/content/334/6053/195.full.pdf, doi:https://doi.org/10.1126/science.1210268.
Hassan M. T., Wirth A., Grguraš I., Moulet A., Luu T. T., Gagnon J., Pervak V. and Goulielmakis E., Attosecond photonics: Synthesis and control of light transients, Rev. Sci. Instrum., 83 (2012) 111301. doi:https://doi.org/10.1063/1.4758310.
Hassan M. T., Luu T. T., Moulet A., Raskazovskaya O., Zhokhov P., Garg M., Karpowicz N., Zheltikov A. M., Pervak V. and Krausz F. et al., Optical attosecond pulses and tracking the nonlinear response of bound electrons, Nature, 530 (2016) 66. doi:https://doi.org/10.1038/nature16528.
Manzoni C., Mücke O. D., Cirmi G., Fang S., Moses J., Huang S.-W., Hong K.-H., Cerullo G. and Kërtner F. X., Coherent pulse synthesis: towards sub-cycle optical waveforms, Laser Photon. Rev., 9 (2015) 129. doi:https://doi.org/10.1002/lpor.201400181.
Goulielmakis E., Uiberacker M., Kienberger R., Baltuska A., Yakovlev V., Scrinzi A., Westerwalbesloh T., Kleineberg U., Heinzmann U. and Drescher M. et al., Direct measurement of light waves, Science, 305 (2004) 1267. arXiv:http://science.sciencemag.org/content/305/5688/1267.full.pdf, doi:https://doi.org/10.1126/science.1100866.
Tseng T.-C., Urban C., Wang Y., Otero R., Tait S. L., Alcamí M., Ecija D., Trelka M., Gallego J. M., Lin N., Konuma M., Starke U., Nefedov A., Langner A., Wöll C., Herranz M. A., Martin F., Martín N., Kern K. and Miranda R., Charge-transfer-induced structural rearrangements at both sides of organic/metal interfaces, Nat. Chem., 2 (2010) 374. doi:https://doi.org/10.1038/nchem.591.
Griffini G., Brambilla L., Levi M., Zoppo M. D. and Turri S., Photo-degradation of a perylene-based organic luminescent solar concentrator: Molecular aspects and device implications, Solar Energy Mater. Solar Cells, 111 (2013) 41. doi:https://doi.org/10.1016/j.solmat.2012.12.021.
Boll R., Anielski D., Bostedt C., Bozek J. D., Christensen L., Coffee R., De S., Decleva P., Epp S. W., Erk B., Foucar L., Krasniqi F., Küpper J., Rouzée A., Rudek B., Rudenko A., Schorb S., Stapelfeldt H., Stener M., Stern S., Techert S., Trippel S., Vrakking M. J. J., Ullrich J. and Rolles D., Femtosecond photoelectron diffraction on laser-aligned molecules: Towards time-resolved imaging of molecular structure, Phys. Rev. A, 88 (2013) 061402. doi:https://doi.org/10.1103/PhysRevA.88.061402.
Shan B. and Chang Z., Dramatic extension of the high-order harmonic cutoff by using a long-wavelength driving field, Phys. Rev. A, 65 (2001) 011804. doi:https://doi.org/10.1103/PhysRevA.65.011804.
Popmintchev T., Chen M.-C., Cohen O., Grisham M. E., Rocca J. J., Murnane M. M. and Kapteyn H. C., Extended phase matching of high harmonics driven by mid-infrared light, Opt. Lett., 33 (2008) 2128. doi:https://doi.org/10.1364/OL.33.002128.
Colosimo P., Doumy G., Blaga C. I., Wheeler J., Hauri C., Catoire F., Tate J., Chirla R., March A. M. and Paulus G. G. et al., Scaling Strong-Field Interactions Towards the Classical Limit, Nat. Phys., 4 (2008) 386. arXiv:9702041, doi:https://doi.org/10.1038/nphys914.
Takahashi E. J., Kanai T., Ishikawa K. L., Nabekawa Y. and Midorikawa K., Coherent water window X-ray by phase-matched high-order harmonic generation in neutral media, Phys. Rev. Lett., 101 (2008) 253901. doi:https://doi.org/10.1103/PhysRevLett.101.253901.
Vozzi C., Calegari F., Frassetto F., Poletto L., Sansone G., Villoresi P., Nisoli M., De Silvestri S. and Stagira S., Coherent Continuum Generation Above 100 ev Driven by an Ir Parametric Source in a Two-Color Scheme, Phys. Rev. A, 79 (2009) 033842. doi:https://doi.org/10.1103/PhysRevA.79.033842.
Shiner A. D., Trallero-Herrero C., Kajumba N., Bandulet H.-C., Comtois D., Légaré F., Giguère M., Kieffer J.-C., Corkum P. B. and Villeneuve D. M., Wavelength scaling of high harmonic generation efficiency, Phys. Rev. Lett., 103 (2009) 073902. doi:https://doi.org/10.1103/PhysRevLett.103.073902.
Popmintchev T., Chen M.-C., Popmintchev D., Arpin P., Brown S., Alisauskas S., Andriukaitis G., Balciunas T., Mucke O. D. and Pugzlys A. et al., Bright Coherent Ultrahigh Harmonics in the keV X-ray Regime from Mid-Infrared Femtosecond Lasers, Science, 336 (2012) 1287. doi:https://doi.org/10.1126/science.1218497.
Cousin S. L., Di Palo N., Buades B., Teichmann S. M., Reduzzi M., Devetta M., Kheifets A., Sansone G. and Biegert J., Attosecond streaking in the water window: A new regime of attosecond pulse characterization, Phys. Rev. X, 7 (2017) 041030. doi:https://doi.org/10.1103/PhysRevX.7.041030.
Tzallas P., Skantzakis E., Nikolopoulos L. A. A., Tsakiris G. D. and Charalambidis D., Extreme-Ultraviolet Pump-Probe Studies of One-Femtosecond-Scale Electron Dynamics, Nat. Phys., 7 (2011) 781.
Carpeggiani P. A., Tzallas P., Palacios A., Gray D., Martín F. and Charalambidis D., Disclosing intrinsic molecular dynamics on the 1 fs scale through extreme-ultraviolet pump-probe measurements, Phys. Rev. A, 89 (2014) 023420. doi:https://doi.org/10.1103/PhysRevA.89.023420.
Takahashi E. J., Lan P., Mücke O. D., Nabekawa Y. and Midorikawa K., Attosecond nonlinear optics using gigawatt-scale isolated attosecond pulses, Nat. Commun., 4 (2013) 2691.
Calegari F., Vozzi C., Negro M., Sansone G., Frassetto F., Poletto L., Villoresi P., Nisoli M., Silvestri S. D. and Stagira S., Efficient continuum generation exceeding 200 ev by intense ultrashort two-color driver, Opt. Lett., 34 (2009) 3125. doi:https://doi.org/10.1364/OL.34.003125.
Takahashi E. J., Lan P., Mucke O. D., Nabekawa Y. and Midorikawa K., Infrared two-color multicycle laser field synthesis for generating an intense attosecond pulse, Phys. Rev. Lett., 104 (2010) 233901. doi:https://doi.org/10.1103/PhysRevLett.104.233901.
Lan P., Takahashi E. J. and Midorikawa K., Optimization of infrared two-color multicycle field synthesis for intense-isolated-attosecond-pulse generation, Phys. Rev. A, 82 (2010) 053413. doi:https://doi.org/10.1103/PhysRevA.82.053413.
Hemsing E., Stupakov G., Xiang D. and Zholents A., Beam by design: Laser manipulation of electrons in modern accelerators, Rev. Mod. Phys., 86 (2014) 897. doi:https://doi.org/10.1103/RevModPhys.86.897.
Martin I. P. S. and Bartolini R., Comparison of short pulse generation schemes for a soft X-ray free electron laser, Phys. Rev. ST Accel. Beams, 14 (2011) 030702. doi:https://doi.org/10.1103/PhysRevSTAB.14.030702.
Bonifacio R., De Salvo L., Pierini P., Piovella N. and Pellegrini C., Spectrum, temporal structure, and fluctuations in a high-gain free-electron laser starting from noise, Phys. Rev. Lett., 73 (1994) 70. doi:https://doi.org/10.1103/PhysRevLett.73.70.
Helml W., Maier A., Schweinberger W., Grguraš I., Radcliffe P., Doumy G., Roedig C., Gagnon J., Messerschmidt M. and Schorb S. et al., Measuring the Temporal Structure of Few-Femtosecond Free-Electron Laser X-Ray Pulses Directly in the Time Domain, Nat. Photon., 8 (2014) 950.
Sansone G., Kelkensberg F., Pérez-Torres J. F., Morales F., Kling M. F., Siu W., Ghafur O., Johnsson P., Swoboda M., Benedetti E., Ferrari F., Lepine F., Sanz-Vicario J. L., Zherebtsov S., Znakovskaya I., L’Huillier A., Ivanov M. Y., Nisoli M., Martín F. and Vrakking M. J. J., Electron localization following attosecond molecular photoionization, Nature, 465 (2010) 763. doi:https://doi.org/10.1038/nature09084.
Trabattoni A., Klinker M., González-Vázquez J., Liu C., Sansone G., Linguerri R., Hochlaf M., Klei J., Vrakking M. J. J., Martín F., Nisoli M. and Calegari F., Mapping the dissociative ionization dynamics of molecular nitrogen with attosecond time resolution, Phys. Rev. X, 5 (2015) 041053. doi:https://doi.org/10.1103/PhysRevX.5.041053.
Warrick E. R., Baekhoj J. E., Cao W., Fidler A. P., Jensen F., Madsen L. B., Leone S. R. and Neumark D. M., Attosecond transient absorption spectroscopy of molecular nitrogen: Vibrational coherences in the b′1 1s+u state, Chem. Phys. Lett., 683 (2017) 408
Ahmed Zewail (1946-2016) Commemoration Issue of Chem. Phys. Lett., doi:https://doi.org/10.1016/j.cplett.2017.02.013.
Beaulieu S., Comby A., Clergerie A., Caillat J., Descamps D., Dudovich N., Fabre B., Géneaux R., Légaré F., Petit S., Pons B., Porat G., Ruchon T., Taïeb R., Blanchet V. and Mairesse Y., Attosecond-resolved photoionization of chiral molecules, Science, 358 (2017) 1288. arXiv:http://science.sciencemag.org/content/358/6368/1288.full.pdf, doi:https://doi.org/10.1126/science.aao5624.
Kelkensberg F., Siu W., Pérez-Torres J. F., Morales F., Gademann G., Rouzée A., Johnsson P., Lucchini M., Calegari F., Sanz-Vicario J. L., Martín F. and Vrakking M. J. J., Attosecond control in photoionization of hydrogen molecules, Phys. Rev. Lett., 107 (2011) 043002. doi:https://doi.org/10.1103/PhysRevLett.107.043002.
Siu W., Kelkensberg F., Gademann G., Rouzée A., Johnsson P., Dowek D., Lucchini M., Calegari F., De Giovannini U., Rubio A., Lucchese R. R., Kono H., Lépine F. and Vrakking M. J. J., Attosecond control of dissociative ionization of o2 molecules, Phys. Rev. A, 84 (2011) 063412. doi:https://doi.org/10.1103/PhysRevA.84.063412.
Cörlin P., Fischer A., Schönwald M., Sperl A., Mizuno T., Thumm U., Pfeifer T. and Moshammer R., Probing calculated O2+ potential-energy curves with an xuv-ir pump-probe experiment, Phys. Rev. A, 91 (2015) 043415. doi:https://doi.org/10.1103/PhysRevA.91.043415.
Sandhu A. S., Gagnon E., Santra R., Sharma V., Li W., Ho P., Ranitovic P., Cocke C. L., Murnane M. M. and Kapteyn H. C., Observing the creation of electronic feshbach resonances in soft X-ray-induced o2 dissociation, Science, 322 (2008) 1081. arXiv:http://science.sciencemag.org/content/322/5904/1081.full.pdf, doi:https://doi.org/10.1126/science.1164498.
Znakovskaya I., von den Hoff P., Zherebtsov S., Wirth A., Herrwerth O., Vrakking M. J. J., de Vivie-Riedle R. and Kling M. F., Attosecond control of electron dynamics in carbon monoxide, Phys. Rev. Lett., 103 (2009) 103002. doi:https://doi.org/10.1103/PhysRevLett.103.103002.
Poletto L., Villoresi P., Frassetto F., Calegari F., Ferrari F., Lucchini M., Sansone G. and Nisoli M., Time-delay compensated monochromator for the spectral selection of extreme-ultraviolet high-order laser harmonics, Rev. Sci. Instrum., 80 (2009) 123109. doi:https://doi.org/10.1063/1.3273964.
Eckstein M., Yang C.-H., Kubin M., Frassetto F., Poletto L., Ritze H.-H., Vrakking M. J. J. and Kornilov O., Dynamics of n2 dissociation upon inner-valence ionization by wavelength-selected xuv pulses, J. Phys. Chem. Lett., 6 (2015) 419. doi:https://doi.org/10.1021/jz5025542.
Wang H., Chini M., Chen S., Zhang C.-H., He F., Cheng Y., Wu Y., Thumm U. and Chang Z., Attosecond time-resolved autoionization of argon, Phys. Rev. Lett., 105 (2010) 143002. doi:https://doi.org/10.1103/PhysRevLett.105.143002.
Cao W., Warrickand E. R., Neumark D. M. and Leone S. R., Excited-state vibronic wave-packet dynamics in h2 probed by xuv transient four-wave mixing, New J. Phys., 18 (2016) 13041.
Wang X., Chini M., Cheng Y., Wu Y., Tong X.-M. and Chang Z., Subcycle laser control and quantum interferences in attosecond photoabsorption of neon, Phys. Rev. A, 87 (2013) 063413. doi:https://doi.org/10.1103/PhysRevA.87.063413.
Beck A. R., Bernhardt B., Warrick E. R., Wu M., Chen S., Gaarde M. B., Schafer K. J., Neumark D. M. and Leone S. R., Attosecond transient absorption probing of electronic superpositions of bound states in neon: detection of quantum beats, New J. Phys., 16 (2014) 113016.
Chini M., Wang X., Cheng Y., Wu Y., Zhao D., Telnov D., Chu S.-I. and Chang Z., Sub-cycle oscillations in virtual states brought to light, Sci. Rep., 3 (2013) 1105.
Chen S., Bell M. J., Beck A. R., Mashiko H., Wu M., Pfeiffer A. N., Gaarde M. B., Neumark D. M., Leone S. R. and Schafer K. J., Light-induced states in attosecond transient absorption spectra of laser-dressed helium, Phys. Rev. A, 86 (2012) 063408. doi:https://doi.org/10.1103/PhysRevA.86.063408.
Ott C., Kaldun A., Argenti L., Raith P., Meyer K., Laux M., Zhang Y., Blättermann A., Hagstotz S. and Ding T. et al., Reconstruction and control of a time-dependent two-electron wave packet, Nature, 516 (2014) 374.
Reduzzi M., Chu W.-C., Feng C., Dubrouil A., Hummert J., Calegari F., Frassetto F., Poletto L., Kornilov O., Nisoli M., Lin C.-D. and Sansone G., Observation of autoionization dynamics and sub-cycle quantum beating in electronic molecular wave packets, J. Phys. B: At. Mol. Opt. Phys., 49 (2016) 065102.
Huppert M., Jordan I., Baykusheva D., von Conta A. and Wörner H. J., Attosecond delays in molecular photoionization, Phys. Rev. Lett., 117 (2016) 093001.
Spinlove K., Vacher M., Bearpark M., Robb M. and Worth G., Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic molecules, Chem. Phys., 482 (2017) 52, electrons and nuclei in motion — correlation and dynamics in molecules (on the occasion of the 70th birthday of Lorenz S. Cederbaum). doi:https://doi.org/10.1016/j.chemphys.2016.10.007.
Woerner H. J., Arrell C. A., Banerji N., Cannizzo A., Chergui M., Das A. K., Hamm P., Keller U., Kraus P. M., Liberatore E., Lopez-Tarifa P., Lucchini M., Meuwly M., Milne C., Moser J.-E., Rothlisberger U., Smolentsev G., Teuscher J., van Bokhoven J. A. and Wenger O., Charge migration and charge transfer in molecular systems, Struct. Dyn., 4 (2017) 061508. arXiv:https://doi.org/10.1063/1.4996505, doi:https://doi.org/10.1063/1.4996505.
Vacher M., Steinberg L., Jenkins A. J., Bearpark M. J. and Robb M. A., Electron dynamics following photoionization: Decoherence due to the nuclear-wave-packet width, Phys. Rev. A, 92 (2015) 040502. doi:https://doi.org/10.1103/PhysRevA.92.040502.
Lara-Astiaso M., Ayuso D., Tavernelli I., Decleva P., Palacios A. and Martin F., Decoherence, control and attosecond probing of XUV-induced charge migration in biomolecules. A theoretical outlook, Faraday Discuss., 194 (2016) 41. doi:https://doi.org/10.1039/C6FD00074F.
Calegari F., Ayuso D., Trabattoni A., Belshaw L., De Camillis S., Anumula S., Frassetto F., Poletto L., Palacios A., Decleva P., Greenwood J. B., Martín F. and Nisoli M., Ultrafast electron dynamics in phenylalanine initiated by attosecond pulses, Science, 346 (2014) 336. arXiv:http://science.sciencemag.org/content/346/6207/336.full.pdf, doi:https://doi.org/10.1126/science.1254061.
Kuleff A. I., Kryzhevoi N. V., Pernpointner M. and Cederbaum L. S., Core ionization initiates subfemtosecond charge migration in the valence shell of molecules, Phys. Rev. Lett., 117 (2016) 093002. doi:https://doi.org/10.1103/PhysRevLett.117.093002.
Hollstein M., Santra R. and Pfannkuche D., Correlation-driven charge migration following double ionization and attosecond transient absorption spectroscopy, Phys. Rev. A, 95 (2017) 053411. doi:https://doi.org/10.1103/PhysRevA.95.053411.
Young L., Ueda K., Guehr M., Bucksbaum P. H., Simon M., Mukamel S., Rohringer N., Prince K. C., Masciovecchio C., Meyer M., Rudenko A., Rolles D., Bostedt C., Fuchs M., Reis D. A., Santra R., Kapteyn H., Murnane M., Ibrahim H., Legare F., Vrakking M., Isinger M., Kroon D., Gisselbrecht M., L’Huillier A., Woerner H. J. and Leone S. R., Roadmap of ultrafast X-ray atomic and molecular physics, J. Phys. B: At. Mol. Opt. Phys., 51 (2018) 032003.
Belshaw L., Calegari F., Duffy M. J., Trabattoni A., Poletto L., Nisoli M. and Greenwood J. B., Observation of ultrafast charge migration in an amino acid, J. Phys. Chem. Lett., 3 (2012) 3751. doi:https://doi.org/10.1021/jz3016028.
Cailliez F., Mueller P., Firmino T., Pernot P. and de la Lande A., Energetics of photoinduced charge migration within the tryptophan tetrad of an animal (6-4) photolyase, J. Am. Chem. Soc., 138 (2016) 1904. doi:https://doi.org/10.1021/jacs.5b10938.
Rottger K., Marroux H. J. B., Grubb M. P., Coulter P. M., Bohnke H., Henderson A. S., Galan M. C., Temps F., Orr-Ewing A. J. and Roberts G. M., Ultraviolet absorption induces hydrogen-atom transfer in g c Watson-Crick dna base pairs in solution, Angew. Chem., 127 (2015) 14932. doi:https://doi.org/10.1002/ange.201506940.
Raytchev M., Mayer E., Amann N., Wagenknecht H.-A. and Fiebig T., Ultrafast proton-coupled electron-transfer dynamics in pyrene-modified pyrimidine nucleosides: Model studies towards an understanding of reductive electron transport in DNA, Chem. Phys. Chem., 5 (2004) 706. doi:https://doi.org/10.1002/cphc.200301205.
Lara-Astiaso M., Palacios A., Decleva P., Tavernelli I. and Martn F., Role of electron-nuclear coupled dynamics on charge migration induced by attosecond pulses in glycine, Chem. Phys. Lett., 683 (2017) 357
Ahmed Zewail (1946-2016) Commemoration Issue of Chem. Phys. Lett. doi:https://doi.org/10.1016/j.cplett.2017.05.008.
Zewail A. H., Femtochemistry: Atomic-scale dynamics of the chemical bond using ultrafast lasers (Nobel lecture), Angew. Chem. Int. Ed., 39 (2000) 2586. doi:https://doi.org/10.1002/1521-3773(20000804)39:15<2586::AID-ANIE2586>3.0.CO;2-O.
Hertel I. V. and Radloff W., Ultrafast dynamics in isolated molecules and molecular clusters, Rep. Prog. Phys., 69 (2006) 1897.
Schlau-Cohen G. S., Dawlaty J. M. and Fleming G. R., Ultrafast multidimensional spectroscopy: Principles and applications to photosynthetic systems, IEEE J. Select. Topics Quantum Electron., 18 (2012) 283. doi:https://doi.org/10.1109/JSTQE.2011.2112640.
Romero E., Augulis R., Novoderezhkin V. I., Ferretti M., Thieme J., Zigmantas D. and van Grondelle R., Quantum coherence in photosynthesis for efficient solar-energy conversion, Nat. Phys., 10 (2014) 676. doi:https://doi.org/10.1038/nphys3017.
Nenov A., Segarra-Marti J., Giussani A., Conti I., Rivalta I., Dumont E., Jaiswal V. K., Altavilla S. F., Mukamel S. and Garavelli M., Probing deactivation pathways of dna nucleobases by two-dimensional electronic spectroscopy: first principles simulations, Faraday Discuss., 177 (2015) 345. doi:https://doi.org/10.1039/C4FD00175C.
Beck A. R., Neumark D. M. and Leone S. R., Probing ultrafast dynamics with attosecond transient absorption, Chem. Phys. Lett., 624 (2015) 119. doi:https://doi.org/10.1016/j.cplett.2014.12.048.
Crespo-Hernandez C. E., Cohen B. and Kohler B., Base stacking controls excited-state dynamics in dna, Nature, 436 (2005) 1141. doi:https://doi.org/10.1038/nature03933.
Middleton C. T., de La Harpe K., Su C., Law Y. K., Crespo-Hernndez C. E. and Kohler B., Dna excited-state dynamics: From single bases to the double helix, Annu. Rev. Phys. Chem., 60 (2009) 217. doi:https://doi.org/10.1146/annurev.physchem.59.032607.093719.
Beratan D. N. and Waldeck D. H., Hot holes break the speed limit, Nat. Chem., 8 (2016) 992. doi:https://doi.org/10.1038/nchem.2655.
Renaud N., Harris M. A., Singh A. P. N., Berlin Y. A., Ratner M. A., Wasielewski M. R., Lewis F. D. and Grozema F. C., Deep-hole transfer leads to ultrafast charge migration in DNA hairpins, Nat. Chem., 8 (2016) 1015. doi:https://doi.org/10.1038/nchem.2590.
Barbatti M., Borin A. C. and Ullrich S., Photoinduced Processes in Nucleic Acids I, Ch. Photoinduced Processes in Nucleic Acids (Springer International Publishing, Cham) 2015, pp. 1–l32. doi:https://doi.org/10.1007/1282014569.
Gustavsson T., Improta R. and Markovitsi D., Dna/rna: Building blocks of life under UV irradiation, J. Phys. Chem. Lett., 1 (2010) 2025. doi:https://doi.org/10.1021/jz1004973.
De Camillis S., Miles J., Alexander G., Ghafur O., Williams I. D., Townsend D. and Greenwood J. B., Ultrafast non-radiative decay of gas-phase nucleosides, Phys. Chem. Chem. Phys., 17 (2015) 23643. doi:https://doi.org/10.1039/C5CP03806E.
Pecourt J.-M. L., Peon J. and Kohler B., Ultrafast internal conversion of electronically excited rna and dna nucleosides in water, J. Am. Chem. Soc., 122 (2000) 9348. doi:https://doi.org/10.1021/ja0021520.
Wan C., Fiebig T., Schiemann O., Barton J. K. and Zewail A. H., Femtosecond direct observation of charge transfer between bases in DNA, Proc. Natl. Acad. Sci. U.S.A., 97 (2000) 14052. arXiv:http://www.pnas.org/content/97/26/14052.full.pdf, doi:https://doi.org/10.1073/pnas.250483297.
Marchetti B., Karsili T. N. V., Ashfold M. N. R. and Domcke W., A “bottom up”, ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs, Phys. Chem. Chem. Phys., 18 (2016) 20007. doi:https://doi.org/10.1039/C6CP00165C.
Crespo-Hernandez C. E., Martinez-Fernandez L., Rauer C., Reichardt C., Mai S., Pollum M., Marquetand P., Gonzlez L. and Corral I., Electronic and structural elements that regulate the excited-state dynamics in purine nucleobase derivatives, J. Am. Chem. Soc., 137 (2015) 4368. doi:https://doi.org/10.1021/ja512536c.
Stavros V. G. and Verlet J. R., Gas-phase femtosecond particle spectroscopy: A bottom-up approach to nucleotide dynamics, Annu. Rev. Phys. Chem., 67 (2016) 211. doi:https://doi.org/10.1146/annurev-physchem-040215-112428.
Conti I., Nenov A., Hfinger S., Altavilla S. F., Rivalta I., Dumont E., Orlandi G. and Garavelli M., Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/amber level: from the bright to the excimer state and back, Phys. Chem. Chem. Phys., 17 (2015) 7291. doi:https://doi.org/10.1039/c4cp05546b.
Mansson E. P., De Camillis S., Castrovilli M. C., Galli M., Nisoli M., Calegari F. and Greenwood J. B., Ultrafast dynamics in the dna building blocks thymidine and thymine initiated by ionizing radiation, Phys. Chem. Chem. Phys., 19 (2017) 19815. doi:https://doi.org/10.1039/C7CP02803B.
Hernández-García C., Popmintchev T., Murnane M. M., Kapteyn H. C., Plaja L., Becker A. and Jaron-Becker A., Isolated broadband attosecond pulse generation with near- and mid-infrared driver pulses via time-gated phase matching, Opt. Express, 25 (2017) 11855. doi:https://doi.org/10.1364/OE.25.011855.
Helml W., Maier A., Schweinberger W., Grguraš I., Radcliffe P., Doumy G., Roedig C., Gagnon J., Messerschmidt M., Schorb S. et al., Measuring the temporal structure of few-femtosecond free-electron laser X-ray pulses directly in the time domain, Nat. Photon, 8 (2014) 950.
Feng L., Liu H., Li Y. and Li W., Generation of high-intensity kev single-attosecond pulse using multi-cycle spatial inhomogeneous mid-infrared field, J. Opt. Soc. Am. B, 35 (2018) A84. doi:https://doi.org/10.1364/JOSAB.35.000A84.
Ren X., Li J., Yin Y., Zhao K., Chew A., Wang Y., Hu S., Cheng Y., Cunningham E., Wu Y., Chini M. and Chang Z., Attosecond light sources in the water window, J. Optics, 20 (2018) 023001.
Loh Z.-H. and Leone S. R., Capturing ultrafast quantum dynamics with femtosecond and attosecond X-ray core-level absorption spectroscopy, J. Phys. Chem. Lett., 4 (2013) 292. doi:https://doi.org/10.1021/jz301910n.
Elkins M. H., Williams H. L. and Neumark D. M., Isotope effect on hydrated electron relaxation dynamics studied with time-resolved liquid jet photoelectron spectroscopy, J. Chem. Phys., 144 (2016) 184503. doi:https://doi.org/10.1063/1.4948546.
Arrell C. A., Ojeda J., Sabbar M., Okell W. A., Witting T., Siegel T., Diveki Z., Hutchinson S., Gallmann L., Keller U., van Mourik F., Chapman R. T., Cacho C., Rodrigues N., Turcu I. C., Tisch J. W., Springate E., Marangos J. P. and Chergui M., A simple electron time-of-flight spectrometer for ultrafast vacuum ultraviolet photoelectron spectroscopy of liquid solutions, Rev. Sci. Instrum., 85 (2014) 103117. doi:https://doi.org/10.1063/1.4899062.
Jordan I., Jain A., Gaumnitz T., Ma J. and Wrner H. J., Photoelectron spectrometer for liquid and gas-phase attosecond spectroscopy with field-free and magnetic bottle operation modes, Rev. Sci. Instrum., 89 (2018) 053103. doi:https://doi.org/10.1063/1.5011657.
Conti Nibali V. and Havenith M., New insights into the role of water in biological function: Studying solvated biomolecules using terahertz absorption spectroscopy in conjunction with molecular dynamics simulations, J. Am. Chem. Soc., 136 (2014) 12800. doi:https://doi.org/10.1021/ja504441h.
Dopfer O. and Fujii M., Probing solvation dynamics around aromatic and biological molecules at the single-molecular level, Chem. Rev., 116 (2016) 5432. doi:https://doi.org/10.1021/acs.chemrev.5b00610.
Garavelli M., Celani P., Bernardi F., Robb M. A. and Olivucci M., The c5h6nh2+ protonated shiff base: An ab initio minimal model for retinal photoisomerization, J. Am. Chem. Soc., 119 (1997) 6891. arXiv:https://doi.org/10.1021/ja9610895, doi:https://doi.org/10.1021/ja9610895.
Gai F., Hasson K. C., McDonald J. C. and Anfinrud P. A., Chemical dynamics in proteins: The photoisomerization of retinal in bacteriorhodopsin, Science, 279 (1998) 1886. arXiv:http://science.sciencemag.org/content/279/5358/1886.full.pdf, doi:https://doi.org/10.1126/science.279.5358.1886.
Greenwood J. B., Miles J., Camillis S. D., Mulholland P., Zhang L., Parkes M. A., Hailes H. C. and Fielding H. H., Resonantly enhanced multiphoton ionization spectrum of the neutral green fluorescent protein chromophore, J. Phys. Chem. Lett., 5 (2014) 3588. doi:https://doi.org/10.1021/jz5019256.
Tanaka K., The origin of macromolecule ionization by laser irradiation (Nobel lecture), Angew. Chem. Int. Ed., 42 (2003) 3860. doi:https://doi.org/10.1002/anie.200300585.
Fenn J. B., Electrospray wings for molecular elephants (Nobel lecture), Angew. Chem. Int. Ed., 42 (2003) 3871. doi:https://doi.org/10.1002/anie.200300605.
Reitsma G., Gonzalez-Magana O., Versolato O., Door M., Hoekstra R., Suraud E., Fischer B., Camus N., Kremer M., Moshammer R. and Schlatholter T., Femtosecond laser induced ionization and dissociation of gas-phase protonated leucine enkephalin, Int. J. Mass Spectrom., 365-366 (2014) 365, special issue: Tilmann Maerk. doi:https://doi.org/10.1016/j.ijms.2014.01.004.
Mooney C. R. S., Horke D. A., Chatterley A. S., Simperler A., Fielding H. H. and Verlet J. R. R., Taking the green fluorescence out of the protein: dynamics of the isolated gfp chromophore anion, Chem. Sci., 4 (2013) 921. doi:https://doi.org/10.1039/C2SC21737F.
Feraud G., Dedonder C., Jouvet C., Inokuchi Y., Haino T., Sekiya R. and Ebata T., Development of ultraviolet-ultraviolet hole-burning spectroscopy for cold gas-phase ions, J. Phys. Chem. Lett., 5 (2014) 1236. doi:https://doi.org/10.1021/jz500478w.
Chatterley A. S., West C. W., Stavros V. G. and Verlet J. R. R., Time-resolved photoelectron imaging of the isolated deprotonated nucleotides, Chem. Sci., 5 (2014) 3963. doi:https://doi.org/10.1039/C4SC01493F.
Hutzler N. R., Lu H.-I. and Doyle J. M., The buffer gas beam: An intense, cold, and slow source for atoms and molecules, Chem. Rev., 112 (2012) 4803. doi:https://doi.org/10.1021/cr200362u.
Tanaka K., Waki H., Ido Y., Akita S., Yoshida Y., Yoshida T. and Matsuo T., Protein and polymer analyses up to m/z 100 000 by laser ionization time-of-flight mass spectrometry, Rapid Commun. Mass Spectrom., 2 (1988) 151. doi:https://doi.org/10.1002/rcm.1290020802.
Taherkhani M., Riese M., BenYezzar M. and Moeller-Dethlefs K., A novel experimental system of high stability and lifetime for the laser-desorption of biomolecules, Rev. Sci. Instrum., 81 (2010) 063101. doi:https://doi.org/10.1063/1.3373977.
Saigusa H., Tomioka A., Katayama T. and Iwase E., A matrix-free laser desorption method for production of nucleobase clusters and their hydrates, Chem. Phys. Lett., 418 (2006) 119. doi:https://doi.org/10.1016/j.cplett.2005.10.086.
Wei J., Buriak J. M. and Siuzdak G., Desorption-ionization mass spectrometry on porous silicon, Nature, 399 (1999) 243. doi:https://doi.org/10.1038/20400.
Arakawa R. and Kawasaki H., Functionalized nanoparticles and nanostructured surfaces for surface-assisted laser desorption/ionization mass spectrometry, Anal. Sci., 26 (2010) 1229. doi:https://doi.org/10.2116/analsci.26.1229.
Allwood D. A., Dreyfus R. W., Perera I. K. and Dyer P. E., Uv optical absorption of matrices used for matrix-assisted laser desorption/ionization, Rapid Commun. Mass Spectrom., 10 (1996) 1575. doi:https://doi.org/10.1002/(SICI)1097-0231(199610)10:13<1575::AID-RCM658>3.0.CO;2-C.
Merrigan T. L., Hunniford C. A., Timson D. J., Morrow T., Catney M. and McCullough R. W., Formation of gas phase macromolecular targets by laser desorption from surfaces, J. Phys.: Conf. Ser., 101 (2008) 012016.
Hall R. B., Pulsed-laser-induced desorption studies of the kinetics of surface reactions, J. Phys. Chem., 91 (1987) 1007. doi:https://doi.org/10.1021/j100289a003.
Levis R. J., Laser desorption and ejection of biomolecules from the condensed phase into the gas phase, Annu. Rev. Phys. Chem., 45 (1994) 483. doi:https://doi.org/10.1146/annurev.pc.45.100194.002411.
Levy D. H., The spectroscopy of very cold gases, Science, 214 (1981) 263.
Cable J. R., Tubergen M. J. and Levy D. H., Laser desorption molecular beam spectroscopy: the electronic spectra of tryptophan peptides in the gas phase, J. Am. Chem. Soc., 109 (1987) 6198. doi:https://doi.org/10.1021/ja00254a057.
Boesl U., Grotemeyer J., Walter K. and Schlag E., A high-resolution time-of-flight mass spectrometer with laser desorption and a laser ionization source, Instrum. Sci. Technol., 16 (1987) 151. doi:https://doi.org/10.1080/10739148708543633.
Li L. and Lubman D. M., Pulsed laser desorption method for volatilizing thermally labile molecules for supersonic jet spectroscopy, Rev. Sci. Instrum., 59 (1988) 557. doi:https://doi.org/10.1063/1.1139832.
Arrowsmith P., de Vries M. S., Hunziker H. E. and Wendt H. R., Laser desorption in front of a free jet nozzle: Distribution of desorbed material in the gas expansion, AIP Conf. Proc., 172 (1988) 770. doi:https://doi.org/10.1063/1.37480.
Meijer G., de Vries M. S., Hunziker H. E. and Wendt H. R., Laser desorption jet-cooling of organic molecules, Appl. Phys. B, 51 (1990) 395. doi:https://doi.org/10.1007/BF00329101.
Teschmit N., Dlugolecki K., Gusa D., Rubinsky I., Horke D. A. and Kuepper J., Characterizing and optimizing a laser-desorption molecular beam source, J. Chem. Phys., 147 (2017) 144204. doi:https://doi.org/10.1063/1.4991639, arXiv:1706.04083v2.
Lindner B. and Seydel U., Laser desorption mass spectrometry of nonvolatiles under shock wave conditions, Anal. Chem., 57 (1985) 895. doi:https://doi.org/10.1021/ac00281a027.
Zinovev A. V., Veryovkin I. V., Moore J. F. and Pellin M. J., Laser-driven acoustic desorption of organic molecules from back-irradiated solid foils, Anal. Chem., 79 (2007) 8232. doi:https://doi.org/10.1021/ac070584o.
Sezer U., Woerner L., Horak J., Felix L., Tuxen J., Gotz C., Vaziri A., Mayor M. and Arndt M., Laser-induced acoustic desorption of natural and functionalized biochromophores, Anal. Chem., 87 (2015) 5614. doi:https://doi.org/10.1021/acs.analchem.5b00601.
Perez J., Ramirez-Arizmendi L. E., Petzold C. J., Guler L. P., Nelson E. D. and Kenttamaa H. I., Laser-induced acoustic desorption/chemical ionization in fourier-transform ion cyclotron resonance mass spectrometry, Int. J. Mass Spectrom., 198 (2000) 173. doi:https://doi.org/10.1016/S1387-3806(00)00181-0.
Shea R. C., Petzold C. J., Campbell J. L., Li S., Aaserud D. J. and Kenttamaa H. I., Characterization of laser-induced acoustic desorption coupled with a fourier transform ion cyclotron resonance mass spectrometer, Anal. Chem., 78 (2006) 6133. doi:https://doi.org/10.1021/ac0602827.
Shea R. C., Habicht S. C., Vaughn W. E. and Kenttamaa H. I., Design and characterization of a high-power laser-induced acoustic desorption probe coupled with a Fourier transform ion cyclotron resonance mass spectrometer, Anal. Chem., 79 (2007) 2688. doi:https://doi.org/10.1021/ac061597p.
Nyadong L., McKenna A. M., Hendrickson C. L., Rodgers R. P. and Marshall A. G., Atmospheric pressure laser-induced acoustic desorption chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for the analysis of complex mixtures, Anal. Chem., 83 (2011) 1616. doi:https://doi.org/10.1021/ac102543s.
Calvert C. R., Belshaw L., Duffy M. J., Kelly O., King R. B., Smyth A. G., Kelly T. J., Costello J. T., Timson D. J., Bryan W. A., Kierspel T., Rice P., Turcu I. C. E., Cacho C. M., Springate E., Williams I. D. and Greenwood J. B., Liad-fs scheme for studies of ultrafast laser interactions with gas phase biomolecules, Phys. Chem. Chem. Phys., 14 (2012) 6289. doi:https://doi.org/10.1039/C2CP23840C.
Duffy M. J., Kelly O., Calvert C. R., King R. B., Belshaw L., Kelly T. J., Costello J. T., Timson D. J., Bryan W. A., Kierspel T., Turcu I. C. E., Cacho C. M., Springate E., Williams I. D. and Greenwood J. B., Fragmentation of neutral amino acids and small peptides by intense, femtosecond laser pulses, J. Am. Soc. Mass Spectrom., 24 (2013) 1366. doi:https://doi.org/10.1007/s13361-013-0653-6.
Huang Z., Ossenbrggen T., Rubinsky I., Schust M., Horke D. A. and Kpper J., Development and characterization of a laser-induced acoustic desorption source, arXiv:1710.06684 (10 2017).
Poully J.-C., Miles J., De Camillis S., Cassimi A. and Greenwood J. B., Proton irradiation of dna nucleosides in the gas phase, Phys. Chem. Chem. Phys., 17 (2015) 7172. doi: https://doi.org/10.1039/C4CP05303F.
Zinovev A., Veryovkin I. and Pellin M., Molecular desorption by laserâ driven acoustic waves: Analytical applications and physical mechanisms, in: Beghi M. G. (Editor), Acoustic Waves — From Microdevices to Helioseismology (InTech, Rijeka, Croatia), 2011, Ch. 16, p. 343. ISBN 978-953-307-572-3.
Calegari F., Ayuso D., Trabattoni A., Belshaw L., Camillis S. D., Frassetto F., Poletto L., Palacios A., Decleva P., Greenwood J. B., Martn F. and Nisoli M., Ultrafast charge dynamics in an amino acid induced by attosecond pulses, IEEE J. Sel. Topics Quantum Electron., 21 (2015) 8700512. doi:https://doi.org/10.1109/JSTQE.2015.2419218.
Banstola B. and Murray K. K., Pulsed valve matrix-assisted ionization, Analyst, 142 (2017) 1672. doi:https://doi.org/10.1039/C7AN00489C.
Hopp B., Smausz T., Antal Z., Kresz N., Bor Z. and Chrisey D., Absorbing film assisted laser induced forward transfer of fungi (trichoderma conidia), J. Appl. Phys., 96 (2004) 3478. doi:https://doi.org/10.1063/1.1782275.
Bulgakov A. V., Goodfriend N., Nerushev O., Bulgakova N. M., Starinskiy S. V., Shukhov Y. G. and Campbell E. E. B., Laser-induced transfer of nanoparticles for gas-phase analysis, J. Opt. Soc. Am. B, 31 (2014) C15. doi:https://doi.org/10.1364/JOSAB.31.000C15.
Goodfriend N. T., Starinskiy S. V., Nerushev O. A., Bulgakova N. M., Bulgakov A. V. and Campbell E. E. B., Laser pulse duration dependence of blister formation on back-radiated Ti thin films for BB-LIFT, Appl. Phys. A, 122 (2016) 154. doi:https://doi.org/10.1007/s00339-016-9666-x.
Breidbach J. and Cederbaum L. S., Universal attosecond response to the removal of an electron, Phys. Rev. Lett., 94 (2005) 033901. doi:https://doi.org/10.1103/PhysRevLett.94.033901.
Stener M., Lisini A. and Decleva P., Accurate local density photoionization cross sections by lcao stieltjes imaging approach, Int. J. Quant. Chem., 53 (1995) 229. doi:https://doi.org/10.1002/qua.560530208.
Stener M. and Decleva P., Time-dependent density functional calculations of molecular photoionization cross sections: N2 and ph3, J. Chem. Phys., 112 (2000) 10871. doi:https://doi.org/10.1063/1.481755.
Toffoli G. F. D., Stener M. and Decleva P., Convergence of the multicenter b-spline dft approach for the continuum, Chem. Phys., 276 (2002) 25. doi:https://doi.org/10.1016/S0301-0104(01)00549-3.
Stener M., Fronzoni G. and Decleva P., Time-dependent density-functional theory for molecular photoionization with noniterative algorithm and multicenter b-spline basis set: Cs2 and c6h6 case studies, J. Chem. Phys., 122 (2005) 234301. doi:https://doi.org/10.1063/1.1937367.
Canton S. E., Plesiat E., Bozek J. D., Rude B. S., Decleva P. and Martin F., Direct observation of Young’s double-slit interferences in vibrationally resolved photoionization of diatomic molecules, Proc. Natl. Acad. Sci., 108 (2011) 7302. doi:https://doi.org/10.1073/pnas.1018534108.
Kukk E., Ayuso D., Thomas T. D., Decleva P., Patanen M., Argenti L., Plésiat E., Palacios A., Kooser K., Travnikova O., Mondal S., Kimura M., Sakai K., Miron C., Martín F. and Ueda K., Effects of molecular potential and geometry on atomic core-level photoemission over an extended energy range: The case study of the CO molecule, Phys. Rev. A, 88 (2013) 033412. doi:https://doi.org/10.1103/PhysRevA.88.033412.
Ueda K., Miron C., Plésiat E., Argenti L., Patanen M., Kooser K., Ayuso D., Mondal S., Kimura M., Sakai K., Travnikova O., Palacios A., Decleva P., Kukk E. and Martín F., Intramolecular photoelectron diffraction in the gas phase., J. Chem. Phys., 139 (2013) 124306. doi:https://doi.org/10.1063/1.4820814.
Ayuso D., Kimura M., Kooser K., Patanen M., Plésiat E., Argenti L., Mondal S., Travnikova O., Sakai K., Palacios A., Kukk E., Decleva P., Ueda K., Martín F. and Miron C., Vibrationally Resolved B 1s Photoionization Cross Section of BF 3, J. Phys. Chem. A, 119 (2015) 5971. doi:https://doi.org/10.1021/jp511416h.
Cpmd, (c) ibm corp 1990–2015, (c) mpi für festkörperforschung stuttgart 1997–2001, http://www.cpmd.org/(2014).
Mendive-Tapia D., Vacher M., Bearpark M. J. and Robb M. A., Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection, J. Chem. Phys., 139 (2013) 044110. doi:https://doi.org/10.1063/1.4815914.
Perfetto E., Sangalli D., Marini A. and Stefanucci G., Ultrafast charge migration in xuv photoexcited phenylalanine: A first-principles study based on real-time nonequilibrium green’s functions, J. Phys. Chem. Lett., 9 (2018) 1353. doi:https://doi.org/10.1021/acs.jpclett.8b00025.
Fischer C. F. and Idrees M., Spline methods for resonances in photoionisation cross sections, J. Phys. B: At. Mol. Opt. Phys., 23 (1990) 679.
Bachau H., Cormier E., Decleva P., Hansen J. E. and Martín F., Applications of b-splines in atomic and molecular physics, Rep. Prog. Phys., 64 (2001) 1815.
Miller T. F. III and Clary D. C., Quantum free energies of the conformers of glycine on an ab initio potential energy surface, Phys. Chem. Chem. Phys., 6 (2004) 2563.
Troullier N. and Martins J. L., Efficient pseudopotentials for plane-wave calculations, Phys. Rev. B, 43 (1991) 1993. doi:https://doi.org/10.1103/PhysRevB.43.1993.
Kleinman L. and Bylander D. M., Efficacious form for model pseudopotentials, Phys. Rev. Lett., 48 (1982) 1425.
Curchod B. F. E., Rothlisberger U. and Tavernelli I., Trajectory-based nonadiabatic dynamics with time-dependent density functional theory, Chem. Phys. Chem, 14 (2013) 1314. doi:https://doi.org/10.1002/cphc.201200941.
Vacher M., Mendive-Tapia D., Bearpark M. J. and Robb M. A., Electron dynamics upon ionization: Control of the timescale through chemical substitution and effect of nuclear motion, J. Chem. Phys., 142 (2015) 094105. doi:https://doi.org/10.1063/1.4913515.
Lünnemann S., Kuleff A. I. and Cederbaum L. S., Ultrafast charge migration in 2-phenylethyl-N,N-dimethylamine, Chem. Phys. Lett., 450 (2008) 232. doi:https://doi.org/10.1016/j.cplett.2007.11.031.
Kuleff A. I. and Cederbaum L. S., Charge migration in different conformers of glycine: The role of nuclear geometry, Chem. Phys., 338 (2007) 320. doi:https://doi.org/10.1016/j.chemphys.2007.04.012.
Vacher M., Bearpark M. and Robb M., Communication: Oscillating charge migration between lone pairs persists without significant interaction with nuclear motion in the glycine and gly-gly-nh-ch3 radical cations, J. Chem. Phys., 140 (2014) 201102. doi:https://doi.org/10.1063/1.4879516.
Despré V., Marciniak A., Loriot V., Galbraith M. C. E., Rouzée A., Vrakking M. J. J., Lépine F. and Kuleff A. I., Attosecond hole migration in benzene molecules surviving nuclear motion, J. Phys. Chem. Lett., 6 (2015) 426. doi:https://doi.org/10.1021/jz502493j.
Ruberti M., Decleva P. and Averbukh V., Multi-channel dynamics in high harmonic generation of aligned co2: ab initio analysis with time-dependent b-spline algebraic diagrammatic construction, Phys. Chem. Chem. Phys., 20 (2018) 8311. doi:https://doi.org/10.1039/C7CP07849H.
Mignolet B., Levine R. D. and Remacle F., Charge migration in the bifunctional PENNA cation induced and probed by ultrafast ionization: a dynamical study, J. Phys. B: At. Mol. Opt. Phys., 47 (2014) 124011. doi:https://doi.org/10.1088/0953-4075/47/12/124011.
Boguslavskiy A. E., Mikosch J., Gijsbertsen A., Spanner M., Patchkovskii S., Gador N., Vrakking M. J. J. and Stolow A., The multielectron ionization dynamics underlying attosecond strong-field spectroscopies, Science, 335 (2012) 1336. doi:https://doi.org/10.1126/science.1212896.
Petretti S., Vanne Y. V., Saenz A., Castro A. and Decleva P., Alignment-dep endent ionization of n2, o2, and co2 in intense laser fields, Phys. Rev. Lett., 104 (2010) 223001. doi:https://doi.org/10.1103/PhysRevLett.104.223001.
Sun S., Mignolet B., Fan L., Li W., Levine R. D. and Remacle F., Nuclear motion driven ultrafast photodissociative charge transfer of the penna cation: An experimental and computational study, J. Phys. Chem. A, 121 (2017) 1442. doi:https://doi.org/10.1021/acs.jpca.6b12310.
Mignolet B., Curchod B. F. E. and Martnez T. J., Communication: XFAIMS-external field ab initio multiple spawning for electron-nuclear dynamics triggered by short laser pulses, J. Chem. Phys., 145 (2016) 191104. doi:https://doi.org/10.1063/1.4967761.
Mignolet B. and Curchod B. F. E., A walk through the approximations of ab initio multiple spawning, J. Chem. Phys., 148 (2018) 134110. doi:https://doi.org/10.1063/1.5022877.
Beck M., Jackle A., Worth G. and Meyer H.-D., The multiconfiguration time-dependent hartree (mctdh) method: a highly efficient algorithm for propagating wavepackets, Phys. Rep., 324 (2000) 1. doi:https://doi.org/10.1016/S0370-1573(99)00047-2.
Arnold C., Vendrell O. and Santra R., Electronic decoherence following photoionization: Full quantum-dynamical treatment of the influence of nuclear motion, Phys. Rev. A, 95 (2017) 033425. doi:https://doi.org/10.1103/PhysRevA.95.033425.
Arnold C., Vendrell O., Welsch R. and Santra R., Control of nuclear dynamics through conical intersections and electronic coherences, Phys. Rev. Lett., 120 (2018) 123001. doi:https://doi.org/10.1103/PhysRevLett.120.123001.
Komarova K. G., Remacle F. and Levine R., On the fly quantum dynamics of electronic and nuclear wave packets, Chem. Phys. Lett., 699 (2018) 155. doi:https://doi.org/10.1016/j.cplett.2018.03.050.
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Calegari, F., Trabattoni, A., Månsson, E. et al. Attosecond spectroscopy of bio-chemically relevant molecules. Riv. Nuovo Cim. 41, 415–461 (2018). https://doi.org/10.1393/ncr/i2018-10150-2
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DOI: https://doi.org/10.1393/ncr/i2018-10150-2