Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications
Author:
Affiliation:
1. Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P.O. Box 91, H-1521 Budapest, Hungary
Funder
National Research Development and Innovation Office (NKFIH)
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00093
Reference137 articles.
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2. Bally, T.; Borden, W. T. Reviews in Computational Chemistry; John Wiley & Sons, Ltd, 1999; pp 1–97.
3. Molecular Electronic-Structure Theory
4. Krylov, A. I. Reviews in Computational Chemistry; John Wiley & Sons, Ltd, 2017; Chapter 4, pp 151–224.
5. Stanton, J. F.; Gauss, J. Advances in Chemical Physics; John Wiley & Sons, Ltd, 2003; pp 101–146.
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