Fast construction of the exchange operator in an atom-centred basis with concentric atomic density fitting
Author:
Affiliation:
1. Center for Computing Research, Sandia National Laboratories, Livermore, CA, USA
2. Center for Computational Quantum Chemistry, University of Georgia, Athens, GA, USA
3. Department of Chemistry, Virginia Tech, Blacksburg, VA, USA
Funder
U.S. National Science Foundation
Department of Energy, Office of Basic Energy Sciences, Computational and Theoretical Chemistry (CTC) Program
Office of Science of the U.S. Department of Energy
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2017.1346312
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5. DIRECT METHODS IN ELECTRONIC STRUCTURE THEORY
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