Analytical nuclear gradients for the MP2-R12 method

Molecular Physics

Volumn 105, Issue 19-22, 2007, Pages 2565-2576

  Kordel, E ^a   Villani, C ^a   Klopper, W ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

Analytical derivatives; MP2 R12 theory; Nuclear gradient

Indexed keywords

CORRELATION METHODS; DIMERS; GEOMETRY; POTENTIAL ENERGY SURFACES;

ANALYTICAL DERIVATIVES; ANALYTICAL ENERGY GRADIENTS; NUCLEAR GRADIENT; ORBITAL BASIS;

PERTURBATION TECHNIQUES;

EID: 38849098516     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970701594013     Document Type: Article

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