Intermolecular potential energy surfaces of weakly bound dimers computed from ab initio density functional theory: The right answer for the right reason

Chemical Physics Letters

Volumn 405, Issue 1-3, 2005, Pages 43-48

  Lotrich, Victor F ^a   Bartlett, Rodney J ^a   Grabowski, Ireneusz ^b  

^a UNIVERSITY OF FLORIDA   (United States)

^b NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SURFACE REACTIONS;

AB INITO DENSITY FUNCTIONAL THEORY; INTERMOLECULAR POTENTIAL ENERGY SURFACES; SEMI CANONICAL ORBITALS; WEAKLY BOUND DIMERS;

DIMERS;

EID: 16244399863     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.01.066     Document Type: Article

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