Generalized Semiclassical Ehrenfest Method: A Route to Wave Function-Free Photochemistry and Nonadiabatic Dynamics with Only Potential Energies and Gradients.

Details

Language :

English

ISSN :

15499618

Volume :

20

Issue :

11

Database :

Supplemental Index

Journal :

Journal of Chemical Theory & Computation

Publication Type :

Academic Journal

Accession number :

177818165

Full Text :

https://doi.org/10.1021/acs.jctc.4c00424