Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding-Reference-Cited by-同舟云学术

Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding

Published:2015-08-04 Issue:5 Volume:143 Page:051103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Parrish Robert M.¹,Gonthier Jérôme F.¹^ORCID,Corminbœuf Clémence²,Sherrill C. David¹^ORCID

Affiliation:

1. Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA

2. Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland

Funder

Swiss National Science Foundation

National Science Foundation (NSF)

U.S. Department of Energy (Department of Energy)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4927575

Reference22 articles.

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3. An energy decomposition analysis for intermolecular interactions from an absolutely localized molecular orbital reference at the coupled-cluster singles and doubles level

4. B. Jeziorski et al., in Methods and Techniques in Computational Chemistry: METECC94, Medium-Size Systems Vol. B, edited byE. Clementi (STEF, Cagliari, 1993), p. 79.

5. Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

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