Local Fitting of the Kohn–Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations
Author:
Affiliation:
1. Department of Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
2. COMP/Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto FI-00076, Finland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00148
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1. Inhomogeneous Electron Gas
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4. On the Mulliken approximation of multicentre integrals
5. On the Three‐ and Four‐Center Integrals in Molecular Quantum Mechanics
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