Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory
Author:
Affiliation:
1. Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany
2. Department of Chemistry, Pennsylvania State University, 401A Chemistry Building, University Park, Pennsylvania 16802, USA
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5003065
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4. Explicitly correlated second-order Møller–Plesset methods with auxiliary basis sets
5. Initiation of explicitly correlated Slater-type geminal theory
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