The recombination processes of the electrons in solid are illustrated by solving the time-dependent Schrödinger equation. The results show that the Bohmian trajectories and the time evolution of the electronic probability density agrees very well, which demonstrates that we can use the Bohmian trajectories to investigate the recombination processes of the electrons in solid. We select the region where

The short-time regime of spontaneous light emission by few-electron ions is examined in detail, with a specific emphasis on the angular momentum of the emitted light. It is found that, in general, photons carrying a higher angular momentum are emitted with important probabilities, at short times, in transitions that are not of the electric dipole type. The probability of emission of such photons is

In this paper we expanded the security of a central broadcast protocol using thermal states to the case in which the eavesdropper controls the source. Quantum secrecy in a continuous variable central broadcast scheme is guaranteed by the quantum correlations present in thermal states arising from the Hanbury Brown and Twiss effect. This work allows for a method of key exchange in which two parties

On the basis of the multi-configuration Dirac–Fock method and the density matrix theory treatment of photoionization (PI) dynamics, a systematic investigation for 4 d inner-shell PI of exemplary Ba atom and Ba-like Nd 4+ , Gd 8+ and Yb 14+ ions is performed. Starting from the general framework of the relativistic, the relaxation effects are considered by using a set of relaxed one-electron orbitals

High-intensity extreme ultraviolet (XUV) pulses from a free-electron laser can be used to create a nanoplasma in clusters. In reference Michiels et al (2020 Phys. Chem. Chem. Phys. 22 7828–34) we investigated the formation of excited states in an XUV-induced nanoplasma in ammonia clusters. In the present article we expand our previous study with a detailed analysis of the nanoplasma evolution and ion

We study the above-threshold ionization of atoms in intense circularly polarized laser pulses. In order to compute photoelectron energy spectra, we apply the strong-field approximation with different models for the initial state wave function. Specifically, we compare the spectra for singly ionized Barium (Ba + ) using hydrogenic wave functions and realistic one-particle wave functions obtained by

Accurate extreme ultraviolet spectra of open N -shell neodymium (Nd) ions were recorded at the electron beam ion trap facility of the National Institute of Standards and Technology. The measurements were performed for nominal electron beam energies in the range of 0.90 keV to 2.31 keV. The measured spectra were then compared with the spectra simulated by a collisional-radiative model utilizing atomic

The 1 s −2 Auger hypersatellite spectrum of argon is studied experimentally and theoretically. In total, three transitions to the final states 1 s −1 2 p −2 ( 2 S e , 2 D e ) and 1 s −1 2 s −1 ( 1 S )2 p −1 ( 2 P o ) are experimentally observed. The lifetime broadening of the 1 s −2 → 1 s −1 2 p −2 ( 2 S e , 2 D e ) states is determined to be 2.1(4) eV. For the used photon energy of hν = 7500 eV a

Universal theoretical description of electron impact single ionization process for complex atoms and molecules is a long-standing challenge. A perturbative approach named multicenter three distorted wave method (MCTDW) has recently been developed by our group, aiming at calculating ( e , 2 e ) fully differential cross sections for molecular target. In MCTDW method, the incident, scattered and ejected

XUV multiphoton ionization of molecules is commonly used in free-electron laser experiments to study charge transfer dynamics. However, molecular dissociation and electron dynamics, such as multiple photon absorption, Auger decay, and charge transfer, often happen on competing time scales, and the contributions of individual processes can be difficult to unravel. We experimentally investigate the Coulomb

Entanglement generation and control of two spatially separated asymmetric quantum dots with broken inversion symmetry and mediated by a photonic cavity is studied using a quantum master equation formalism. The quantum dots are coherently driven by a bichromatic laser consisting of a strong optical field nearly resonant with the optical transition of each quantum dot, and a low frequency field. The

The practical homodyne detector model of continuous-variable quantum key distribution models the inherent imperfections of the practical homodyne detector, namely the limited detection efficiency and the electronic noise, into trusted loss. However, the conventional practical homodyne detector model is valid only when both the imperfections of the practical homodyne detector are calibrated. In this

A technique has been developed for calculating the electron-impact ionization single differential cross section directly from the integrated cross sections of positive-energy pseudostates occuring in close-coupling methods. Using the cross sections arising in the convergent close-coupling method, the approach is first tested against the existing benchmark theoretical and experimental data for electron

This paper provides details of a spectroscopic investigation of a thermal 87 Rb atomic vapour. The experiment was conducted with an external magnetic field of 1.5 T in the Voigt geometry. Very good quantitative agreement between experimental data and theory is found for all four Stokes parameters—with RMS errors of ∼1.5% in all cases. From the fits to our experimental data a value for the magnetic

We present time-resolved ultraviolet-pump x-ray probe Auger spectra of 2-thiouracil. An ultraviolet induced shift towards higher kinetic energies is observed in the sulfur 2p Auger decay. The difference Auger spectra of pumped and unpumped molecules exhibit ultrafast dynamics in the shift amplitude, in which three phases can be recognized. In the first 100 fs, a shift towards higher kinetic energies

In this communication, we present the results of the five-fold differential cross-section (5DCS) and triple differential cross-section (TDCS) for the (e, 2e) process on molecular hydrogen (H 2 ) by the plane wave and the twisted electron beam impact. The formalism is developed within the first Born approximation using the plane wave and the twisted wave for the incident electron beam. We describe the

A superconducting Fabry–Perot microwave cavity for a molecular trap was designed, constructed and characterized. The cavity was designed to create intense microwave fields that are sufficient to trap cold polar molecules by the AC Stark force. By coating the mirror surfaces with a superconducting material, an unloaded quality factor of up to 1.1 × 10 6 at 24.087 GHz was achieved at a temperature of

Partial photoionisation cross sections of NH 3 are calculated for processes involving transitions from the ground state to 2 A 1 and 2 E excited electronic states of the neutral target and residual ion respectively for a wide range of wavelengths using the R -matrix method. Some near threshold structures are resolved. A comparative study is reported for the lone pair 3 a 1 electrons with the isoelectronic

The dynamics of qubits coupled to a harmonic oscillator with time-periodic coupling is investigated in the framework of Floquet theory. This system can be used to model nonadiabatic phenomena that require a periodic modulation of the qubit/oscillator coupling. The case of a single qubit coupled to a resonator populated with n = 0, 1 photon is explicitly treated. The time-dependent Schrödinger equation

Motivated by the recent discovery of ergodicity breaking in geometrically frustrated systems, we study the quench dynamics of interacting hardcore bosons on a sawtooth ladder. We identify a set of initial states for which this system exhibits characteristic signatures of localization like initial state memory retention and slow growth of entanglement entropy for a wide parameter regime. Remarkably

A predictive understanding of soft x-ray near-edge absorption spectra of small molecules is an enduring theoretical challenge and of current interest for x-ray probes of molecular dynamics. We report the experimental absorption spectrum for the electron spectroscopy for chemical analysis (ESCA) molecule (ethyl trifluoroacetate) near the carbon 1s absorption edge between 285–300 eV. The ESCA molecule

The low-energy electronic excitations of HRgCN and HRgNC (Rg = Xe, Rn) were computed at the TDDFT level of theory, both in the gas phase and in xenon cluster. It was found that the most prominent peak in the spectra was due to the highest occupied molecular orbital (HOMO) to lowest unoccupied molecular orbital (LUMO) transition (∼6 eV for HRgCN and ∼4.5 eV for HRgNC). Cluster confinement brought about

In the present work, we use tunable synchrotron radiation to investigate experimentally and theoretically the dissociation of a chlorinated methane, the CHCl 3 molecule, by exciting a chlorine 2 p core electron into the LUMO and LUMO + 1 orbitals. The Auger electron energy distribution measured at the Cl 2p 3/2 → 10a 1 resonance shows narrow lines which energies correspond to the Cl * → Cl + atomic

In this paper, we numerically studied the effects of mechanical vibration and magnetic fields on evaporative cooling process carried in space station by direct simulation Monte Carlo method. Simulated with the vibration data of international space station, we found that the cooling process would suffer great atomic losses until the accelerations reduced tenfold at least. In addition, if we enlarge

We present a study of the coherence properties of a variety of motional states of a single ion confined in a Penning ion trap. We demonstrate that the motion of the ion has a coherence time of the order of 1 s, using Ramsey interferometry. We introduce a technique for preparing the ion in an incoherent superposition of highly-excited motional states using a simple modification of optical sideband cooling

We report on the measurement of the triply differential cross-section for electron-impact ionization of the valence 1e orbitals of ammonia using the (e, 2e) technique with coplanar asymmetric kinematics. The experimental results are first compared to the theoretical cross sections calculated using the 1CW, 1DW and the BBK models recently extended to molecules. We then introduce the short-range (SR)

We report on an experimental and theoretical study of strong-field laser ionization of CF 3 Br followed by resonant x-ray absorption at the Br K -edge. Distinct 1s → 4p, 5p Rydberg transitions of Br q + ( q = 1–4) atomic ions are observed and identified with Hartree–Fock–Slater and relativistic configuration interaction calculations. Time-dependent density functional theory and ab initio molecular

Wave packet interferometry provides benchmark information on light-induced electronic quantum states by monitoring their relative amplitudes and phases during coherent excitation, propagation, and decay. The relative phase control of soft x-ray pulse replicas on the single-digit attosecond timescale achieved in our experiments makes this method a powerful tool to probe ultrafast quantum phenomena such

We report on the observation of time-resolved quantum beats in the helium fluorescence from the transition 1 s 3 p → 1 s 2 s , where the initial state is excited by XUV free electron laser radiation. The quantum beats originate from the Zeeman splitting of the magnetic substates due to an external magnetic field. We perform a systematic study of this effect and discuss the possibilities of studying

Single photon simultaneous core ionization/core excitation (K −2 V) of the Benzene molecule has been observed experimentally, using synchrotron radiation, by electron coincidence spectroscopy with a magnetic bottle time-of-flight electron spectrometer and reveals a rich spectrum. DFT and Post–Hartree–Fock calculations provide detailed assignments of K −2 V states. The specific Auger decay of these

Photoelectron spectroscopy, mass spectrometry and electron–ion coincidence experiments combined with tunable synchrotron radiation have been used to study the decay and fragmentation of 2Cl-pyrimidine after Cl(2p), C(1s) and N(1s) excitations. The goal is to investigate how the state- and site-selected excitation and the chemical environment affect the fragmentation paths of the molecule and to make

We establish the condition of modulational instability (MI) in one-dimensional effective one-component self-bound quantum droplets and Bose–Bose (BB) mixture, coupled through spin–orbit and Rabi couplings. For the self-bound quantum droplets of effective one-component BB mixture, MI occurs for the atom density: ##IMG## [http://ej.iop.org/images/0953-4075/53/24/245001/babc3d2ieqn1.gif] {$P{< }{\lef

Formamide, a simple model bio-molecule (HCONH 2 ), is irradiated with high intensity, ultrashort pulses from an x-ray free electron laser. Ionic fragments resulting from photoionization and subsequent decay processes are recorded, as well as the electronic signature of the different inner shell ionization events that can take place during the x-ray pulses. The formation of double-core-hole states,

Autoionizing hole states with electron configuration n s n p 5 m p are studied in Ar + and Kr + . Total and partial photoionization cross sections, photoelectron spectra and photoelectron angular distributions in the region of the resonances are obtained theoretically in extensive R -matrix calculations. The states of Ar + are observed by means of excitation by a free-electron laser operating in the

We present a combined experimental and theoretical study of the fragmentation of molecular CS 2 after sulfur 1s Auger cascade decay, consisting of electron–multi-ion coincidence spectra of charged fragments and theoretical simulations combining density functional theory and molecular dynamics. On the experimental side, a procedure for a complete determination of all sets of ions formed is described

We study different representations of a many-particle system. We reveal the connections among the nonclassicalities of many-particle, single-mode and two-mode systems in the infinite particle number limit. First, we demonstrate that (separable) atomic coherent states, of a many-particle system, mimic the coherent states of single-mode light as the number of particles goes to infinity. This enables

We present state-selective measurements on the ##IMG## [http://ej.iop.org/images/0953-4075/53/24/244003/babc3aaieqn2.gif] {${\mathrm{N}\mathrm{H}}_{2}^{+}$} + H + and NH + + H + + H dissociation channels following single-photon double ionization at 61.5 eV of neutral NH 3 , where the two photoelectrons and two cations are measured in coincidence using 3D momentum imaging. Three dication electronic

In a proof-of-principle experiment, we demonstrate that metastable nitric oxide molecules, NO(a 4 Π i ), generated inside a pulsed, supersonic beam, can be detected by reactive gas-phase collisions with electronically excited Li atoms in the 2 2 P 3/2 state. Since the internal energy of NO(a 4 Π i , v ⩽ 4) is lower than the ionization potential of Li in the 2 2 S 1/2 electronic ground state, we observe

We present a theoretical model with a large number of interacting atoms that can be used to study the Rydberg blockade in thermal vapor. Exact calculations for two, three and four interacting atoms are extrapolated to formulate the model for N interacting atoms using the method of induction. The effect of the decay mechanisms such as the laser frequency noise and the super-atom dephasing arising due

Ultrafast time-resolved x-ray scattering (TRXS) from a photoexcited molecular ensemble measures a distribution S ( Q , τ ) of the x-ray momentum transfer Q and pump-probe delay τ in which all modes of motion induced by the excitation overlap. Frequency-resolved x-ray scattering (FRXS) based on ##IMG## [http://ej.iop.org/images/0953-4075/53/24/244002/babc22aieqn1.gif] {$\tilde {S}\left(Q,\omega \right)$}

The Avobenzone (AVOB) molecule is very photoactive and undergoes irreversible degradation upon irradiation. We studied its valence and core-level (C1 s and O1 s ) photoionisation and subsequent photofragmentation with photoelectron spectroscopy and photoelectron–photoion–photoion coincidence (PEPIPICO) spectroscopy. AVOB is one of the largest molecules studied with this technique. The results show

Recent developments of x-ray free electron lasers and pulsed electron sources have enabled ultrafast scattering to become an increasingly powerful tool for exploring molecular dynamics. This article describes our recent experimental and methodological advances in ultrafast gas-phase x-ray scattering experiments at the LCLS. A re-designed short-pathlength windowless diffractometer is coupled with careful

We combine a slave-spin approach with a mean-field theory to develop an approximate theoretical scheme to study the density, spin, and, pairing correlation functions of fermionic polar molecules. We model the polar molecules subjected to a one-dimensional periodic optical lattice potential using a generalized t – J model, where the long-range part of the interaction is included through the exchange

Optical methods of enantiomeric-specific state transfer had been proposed theoretically based on a cyclic three-level system of chiral molecules. According to these theoretical methods, recently the breakthrough progress has been reported in experiments (Eibenberger et al 2017 Phys. Rev. Lett. 118 123002; Pérez et al 2017 Angew. Chem. Int. Ed. 56 12512) for cold gaseous chiral molecules but with achieving

This experimental work demonstrates the importance of finite-width effects in the evolution of a quantum system, where the results deviate considerably from the plane wave approximation even for an initial state with a very narrow momentum width i.e a Bose–Einstein condensate. The system under consideration is an atom optics δ -kicked rotor for which a fidelity based measurement has been proposed to

Potential energy curves, spectroscopic parameters, electric dipole moments (PEDM and TEDM) and vibrational levels’ spacing for 14 1 Σ + , 13 3 Σ + , 8 1,3 Π, and 3 1,3 Δ electronic states, including the ionic limit K − Cs + , are highly computed and presented in adiabatic representation. These properties are determined by the use of an ab initio method involving non-empirical pseudo-potentials, the

We report the measurement of the absolute double differential cross sections (DDCS) of secondary electrons emitted due to the ionization of N 2 molecule in collisions with fast electrons having energies between 3 and 5 keV. The emitted electrons with energies from 1–500 eV have been measured for different forward and backward emission angles. The measured DDCS have been compared with the state-of-the-art

Confinement of atoms inside various cavities has been studied for nearly eight decades. However, the Compton profile (CP) for such systems has not yet been investigated. Here we construct the CP for a H atom radially confined inside a hard spherical enclosure, as well as in a free condition . Some exact analytical relations for the CP’s of circular or nodeless states of free atoms is presented. By

The generation and detection of entanglement between mesoscopic systems would have major fundamental and applicative implications. In this work, we demonstrate the utility of continuous variable tools to evaluate the Gaussian entanglement arising between two homogeneous levitated nanobeads interacting through a central potential. We compute the entanglement for the steady state and determine the measurement

After decades of supremacy of the Titanium:Sapphire technology, Ytterbium-based high-order harmonic sources are emerging as a promising alternative for experiments requiring high flux of ultrashort extreme ultraviolet (XUV) radiation. In this article we describe a versatile experimental setup delivering XUV photons in the 10–50 eV range. The use of cascaded high-order harmonic generation enables us

Ru(II)-bipyridine complexes connected with p-type semiconductors (p-SCs) are promising systems for photocatalytic applications such as in dye-sensitised solar cells. The photosensitizer-semiconductor interface—governed by the anchoring group—is of vital importance for the electronic properties of the systems as it determines the long-term stability to the semiconductor surface through its binding ability

The Fano absorption line shape of an autoionizing state encodes information on its internal atomic structure and dynamics. When driven near-resonantly with intense extreme ultraviolet (XUV) electric fields, the absorption profile can be deliberately modified, including observable changes of both the line-shape asymmetry and strength of the resonance, revealing information on the underlying dynamics

We theoretically investigate the ionization process of the interaction between a strong circular polarized laser pulse and an atom, whose initial state has different orbital angular momenta. When the rotation direction of the laser vector field is opposite to that of the bound state, the ionization probability is significantly higher than the co-rotating case, in which the laser vector field is in

We show the results calculated with improved treatment for the interaction between incident proton and nuclei in H 2 over our previous work [2019 J. Phys. B: At. Mol. Opt. Phys. 52 075204] for electron capture process from H 2 by proton with including the vibrational motion of molecules. Moreover, the differential cross sections with respect to the projectile scattering angle are calculated and the

The interatomic resonant Auger effect in N 2 O is investigated experimentally and theoretically. We observe variations of the ratio between the yields of 1 s -photoionization of the central and terminal nitrogen atom in the photon energy range across the O 1 s → π * excitation. The present ab initio calculations of electronic structure and dynamics attribute these variations to the Fano interference

In this tutorial we discuss the macroscopic aspects of the extreme nonlinear frequency conversion process of high-order harmonic generation. For most, this entails describing the phase mismatch of the process and the means to mitigate it by tuning global parameters or by modulations perturbing the process. Additionally, we consider applications of phase matching in general for probing and for controlling

Realizing and controlling a Fano resonance is of fundamental significance in physics and may find applications in optical switching and sensitivity-enhanced biochemical sensing. Here we present a practicable scheme to realize Fano resonance and slow light in a quadratically coupled optomechanical system with membranes. It is shown that Fano resonance generation is precisely controlled by changing the

Benchmark variational calculations of the Born–Oppenheimer potential energy curve (PEC) performed with explicitly correlated all-electron Gaussian functions with shifted centers are presented. The PEC energies include the leading relativistic and quantum-electrodynamics corrections and the first-order corrections due to adiabatic effects. The PEC is used to calculate the ro-vibrational spectra for

We realize an experimental facility for cooling and trapping strontium (Sr) atoms and measure the Landé g factor of 3 D 1 of 88 Sr. Thanks to a novel repumping scheme with the 3 P 2 → 3 S 1 and 3 P 0 → 3 D 1 combination and the permanent magnets based self-assembled Zeeman slower, the peak atom number in the continuously repumped blue magneto-optical trap is enhanced by a factor of 15 with respect

Lorentz symmetry violation (LV) was recently proposed to be testable with a new method, in which the effect of the violation is described as a certain local interaction Shaniv et al (2018 Phys. Rev. Lett. 120 103202). We revisit this LV effect in the paper and show that it is not only local, but it also represents a classical violation according to the recent quantum formulation of the Einstein equivalence