Improving the Accuracy of the Charge Transfer Integrals Obtained by Coupled Cluster Theory, MBPT(2), and TDDFT
Author:
Affiliation:
1. Laboratory for Theoretical Chemistry, Institute of Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest, Hungary
Funder
Országos Tudományos Kutatási Alapprogramok
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00837
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