Optimal Representation of the Nuclear Ensemble: Application to Electronic Spectroscopy
Author:
Affiliation:
1. Department of Physical Chemistry, University of Chemistry and Technology, Technická 5, Prague 16628, Czech Republic
Funder
Ministerstvo ??kolstv??, Ml??de??e a T??lov??chovy
Grantov?? Agentura ??esk?? Republiky
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00749
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5. Effects of different initial condition samplings on photodynamics and spectrum of pyrrole
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