Efficient Integral-Direct Methods for Self-Consistent Reduced Density Matrix Functional Theory Calculations on Central and Graphics Processing Units
Author:
Affiliation:
1. Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), Butenandtstr. 5−13, D-81377 Munich, Germany
2. Max Planck Institute for Solid State Research, Heisenbergstr. 1, D-70569 Stuttgart, Germany
Funder
Deutsche Forschungsgemeinschaft
Max-Planck-Gesellschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00231
Reference145 articles.
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5. Self-Consistent Equations Including Exchange and Correlation Effects
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