Spin-component-scaled and dispersion-corrected second-order Møller–Plesset perturbation theory: a path toward chemical accuracy-Reference-Cited by-同舟云学术

Spin-component-scaled and dispersion-corrected second-order Møller–Plesset perturbation theory: a path toward chemical accuracy

Published:2022 Issue:6 Volume:24 Page:3695-3712
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Greenwell Chandler¹^ORCID,Řezáč Jan²^ORCID,Beran Gregory J. O.¹^ORCID

Affiliation:

1. Department of Chemistry, University of California Riverside, Riverside, CA 92521, USA

2. Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, 166, Prague, Czech Republic

Abstract

Dispersion-corrected, spin-component-scaled second-order Møller–Plesset perturbation theory (SCS-MP2D) provides accuracy and computational efficiency that is competitive with high-quality density functionals.

Funder

Division of Biological Infrastructure

Division of Chemistry

National Institutes of Health

Grantová Agentura České Republiky

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04922D

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