Analytic calculation of first-order molecular properties at the explicitly correlated second-order Møller–Plesset level: Basis-set limits for the molecular quadrupole moments of BH and HF-Reference-Cited by-同舟云学术

Analytic calculation of first-order molecular properties at the explicitly correlated second-order Møller–Plesset level: Basis-set limits for the molecular quadrupole moments of BH and HF

Published:2005-06 Issue:21 Volume:122 Page:214306
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Kordel Elena,Villani Cristian,Klopper Wim

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1924591

Reference29 articles.

1. Møller-plesset calculations taking care of the correlation CUSP

2. A hybrid scheme for the resolution-of-the-identity approximation in second-order Møller–Plesset linear-r12 perturbation theory

3. Density fitting in second-order linear-r12 Møller–Plesset perturbation theory

4. Density fitting for the decomposition of three-electron integrals in explicitly correlated electronic structure theory

5. Explicitly correlated second order perturbation theory: Introduction of a rational generator and numerical quadratures

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