Single-determinant-based symmetry-adapted perturbation theory without single-exchange approximation

Molecular Physics

Volumn 111, Issue 16-17, 2013, Pages 2570-2584

  Schäffer, Rainer ^a   Jansen, Georg ^a  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

Author keywords

exchange dispersion energy; exchange induction energy; intermolecular interactions; overlap expansion; single exchange approximation; symmetry adapted perturbation theory

Indexed keywords

EXCHANGE-DISPERSION ENERGY; EXCHANGE-INDUCTION ENERGY; INTERMOLECULAR INTERACTIONS; SINGLE-EXCHANGE APPROXIMATION; SYMMETRY ADAPTED PERTURBATION THEORY;

DESIGN FOR TESTABILITY; DISPERSIONS; QUALITY CONTROL; VAN DER WAALS FORCES;

ION EXCHANGE;

EID: 84885181419     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.827253     Document Type: Article

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