Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals
Author:
Affiliation:
1. Department of Chemistry, Stanford University, Stanford, California 94305, USA
Funder
National Science Foundation
Camille and Henry Dreyfus Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5125275
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