Symmetry‐adapted perturbation theory of intermolecular forces

Krzysztof Szalewicz

doi:10.1002/wcms.86

journal article Aug 30, 2011

Symmetry‐adapted perturbation theory of intermolecular forces

Krzysztof Szalewicz

WIREs Computational Molecular Science Vol. 2 No. 2 pp. 254-272 · Wiley

View at Publisher Save 10.1002/wcms.86

Abstract

AbstractBasic concepts and most recent developments of symmetry‐adapted perturbation theory (SAPT) are described. In particular, the methods that combine SAPT with density‐functional theory are discussed. It is explained how SAPT allows one to predict and understand the structure and properties of clusters and condensed phase. The broadest range of such predictions can be achieved by constructing potential energy surfaces from a set of SAPT interaction energies and using these surfaces in nuclear dynamics calculations. © 2011 John Wiley & Sons, Ltd.This article is categorized under:Electronic Structure Theory > Ab Initio Electronic Structure Methods

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553

Citations

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References

Details

Published: Aug 30, 2011
Vol/Issue: 2(2)
Pages: 254-272
License: View

Authors

K

Krzysztof Szalewicz

Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716

Cite This Article

Krzysztof Szalewicz (2011). Symmetry‐adapted perturbation theory of intermolecular forces. WIREs Computational Molecular Science, 2(2), 254-272. https://doi.org/10.1002/wcms.86

Symmetry‐adapted perturbation theory of intermolecular forces

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