Efficient Parallel Implementation of the CCSD External Exchange Operator and the Perturbative Triples (T) Energy Calculation
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Fulbright College of Arts and Sciences, University of Arkansas, Fayetteville, Arkansas 72701
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct800142f
Reference40 articles.
1. Many-body perturbation theory, coupled-pair many-electron theory, and the importance of quadruple excitations for the correlation problem
2. Electron correlation theories and their application to the study of simple reaction potential surfaces
3. Unlinked cluster effects in molecular electronic structure. I. The HCN and HNC molecules
4. Many‐Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many‐Electron Correlations
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