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Quantum-classical model of the rhodopsin retinal chromophore cis-trans photoisomerization with modified inter-subsystem coupling
Computational and Theoretical Chemistry ( IF 3.0 ) Pub Date : 2020-04-25 , DOI: 10.1016/j.comptc.2020.112831
Alexey S. Shigaev , Tatiana B. Feldman , Victor A. Nadtochenko , Mikhail A. Ostrovsky , Victor D. Lakhno

A modified model of the rhodopsin retinal chromophore cis-trans photoisomerization is developed, where the electron-vibration coupling constant depends exponentially on displacements of mass points. The quantum subsystem of the model includes three electronic states for rhodopsin: (i) the ground state, (ii) the excited state, (iii) the primary photoproduct in the ground state. The classical subsystem includes three mass points. The modifications give sufficient improvement of agreement between computational data and experiments, with all parameters of the model being very close to the most physically realistic values. In particular, improvements concern with data on residual coherent oscillations after photoisomerization is complete. © 2019 Elsevier Science. All rights reserved



中文翻译:

视紫红质的量子经典模型视网膜发色团的顺式-反式光异构化与修饰的子系统间耦合

改进模型视紫红质视网膜发色团的顺式- TRAN小号光异构化进行显影,其中,所述电子振动耦合常数成指数取决于质点位移。模型的量子子系统包括视紫红质的三个电子态:(i)基态,(ii)激发态,(iii)基态的主要光产物。经典子系统包括三个质量点。修改可以充分改善计算数据和实验之间的一致性,并且模型的所有参数都非常接近最实际的值。特别地,改进涉及光异构化完成后关于残余相干振荡的数据。©2019爱思唯尔科学。版权所有

更新日期:2020-04-25
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