Direct Nonadiabatic Dynamics of Ammonia with Curvature-Driven Coherent Switching with Decay of Mixing and with Fewest Switches with Time Uncertainty: An Illustration of Population Leaking in Trajectory Surface Hopping Due to Frustrated Hops.

Details

Language :

English

ISSN :

15499618

Volume :

19

Issue :

6

Database :

Supplemental Index

Journal :

Journal of Chemical Theory & Computation

Publication Type :

Academic Journal

Accession number :

162752349

Full Text :

https://doi.org/10.1021/acs.jctc.2c01260