Analytic derivative couplings and first-principles exciton/phonon coupling constants for an ab initio Frenkel-Davydov exciton model: Theory, implementation, and application to compute triplet exciton mobility parameters for crystalline tetracene
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, USA
Funder
Lubrizol
American Friends of the Alexander von Humboldt Foundation (AFAvH)
U.S. Department of Energy (DOE)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4985607
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