Natural Orbital Branching Scheme for Time-Dependent Density Functional Theory Nonadiabatic Simulations
Author:
Affiliation:
1. Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c06367
Reference55 articles.
1. Perspective: Nonadiabatic dynamics theory
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