Model space diabatization for quantum photochemistry
Author:
Affiliation:
1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, USA
2. Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA
Funder
U.S. Department of Energy (DOE)
Air Force Office of Scientific Research (AFOSR)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4907038
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4. B. C. Garrett and D. G. Truhlar,in Theoretical Chemistry: Theory of Scattering: Papers in Honor of Henry Eyring, edited by D. Henderson (Academic, New York, 1981), p. 215.
5. Conditions for the definition of a strictly diabatic electronic basis for molecular systems
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