Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization
Author:
Affiliation:
1. Department of Chemistry, University of Wisconsin-Madison, 1101 University Ave., Madison, Wisconsin 53706, USA
2. Theoretische Chemische Biologie, Universität Karlsruhe, Kaiserstr. 12, 76131 Karlsruhe, Germany
Funder
National Institutes of Health (NIH)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4929335
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