On the Construction of Property Based Diabatizations: Diabolical Singular Points
Author:
Affiliation:
1. Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b07705
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5. Approximately diabatic states from block diagonalization of the electronic Hamiltonian
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