Recent developments in symmetry‐adapted perturbation theory

Symmetry‐adapted perturbation theory (SAPT) is a well‐established method to compute accurate intermolecular interaction energies in terms of physical effects such as electrostatics, induction (polarization), dispersion, and exchange. With many theory levels and variants, and several computer impleme...

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Veröffentlicht in:	Wiley interdisciplinary reviews. Computational molecular science Jg. 10; H. 3; S. e1452 - n/a
1. Verfasser:	Patkowski, Konrad
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Hoboken, USA Wiley Periodicals, Inc 01.05.2020 Wiley Subscription Services, Inc
Schlagworte:	Catalysis Catalysts Chemical synthesis Density functional theory Dispersion Electronic structure Electrostatic properties Electrostatics Exchanging Graphics Graphics processing units induction Mechanics Molecular interactions Molecular structure noncovalent interactions Perturbation theory Potential energy Scaling Statistical mechanics Symmetry symmetry‐adapted perturbation theory Theories Workflow
ISSN:	1759-0876, 1759-0884
Online-Zugang:	Volltext
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