A new potential energy surface for the water dimer obtained from separate fits of ab initio electrostatic, induction, dispersion and exchange energy contributions

Molecular Physics

Volumn 104, Issue 13-14, 2006, Pages 2101-2138

  Torheyden, Martin ^a   Jansen, Georg ^a  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERS; ELECTROSTATICS; ERROR ANALYSIS; EXTRAPOLATION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

AB INITIO ELECTROSTATICS; FIRST-ORDER ELECTROSTATIC ENERGY; POTENTIAL ENERGY SURFACE (PES); SYMMETRY-ADAPTED PERTURBATION THEORY (SAPT);

MOLECULAR PHYSICS;

EID: 33745620169     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970600679188     Document Type: Article

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