Highly Efficient, Linear-Scaling Seminumerical Exact-Exchange Method for Graphic Processing Units
Author:
Affiliation:
1. Department of Chemistry, Chair of Theoretical Chemistry, University of Munich (LMU), D-81377 München, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00860
Reference85 articles.
1. Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation
2. Accelerating Density Functional Calculations with Graphics Processing Unit
3. Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics
4. Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
5. Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)
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