Calculating Derivative Couplings between Time-Dependent Hartree–Fock Excited States with Pseudo-Wavefunctions
Author:
Affiliation:
1. Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104-6323, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp505767b
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4. On the evaluation of non-adiabatic coupling matrix elements for large scale CI wavefunctions
5. Lengsfield, B. H.; Yarkony, D. R.Advances in Chemical Physics;John Wiley & Sons, Inc.:Hoboken, NJ, 2007; pp1–71.
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