Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation
Author:
Affiliation:
1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA
2. Q-Chem, Inc., 6601 Owens Drive, Suite 105, Pleasanton, California 94588, USA
Funder
David and Lucile Packard Foundation (DLPF)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4887256
Reference80 articles.
1. Zur Quantentheorie der Molekeln
2. Diabolical conical intersections
3. Conical Intersections: The New Conventional Wisdom
4. Nonadiabatic Events and Conical Intersections
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