Basis Sets for Ab Initio Molecular Orbital Calculations and Intermolecular Interactions

Reviews in Computational Chemistry

Volumn 1, Issue , 2007, Pages 1-43

  Feller, David ^a   Davidson, Ernest R ^a  

^a INDIANA UNIVERSITY   (United States)

Author keywords

Atomic natural orbitals; Exponential functions; Gaussian functions; Molecular geometrics; Molecular orbital basis sets

Indexed keywords

CALCULATIONS; EXPONENTIAL FUNCTIONS; MOLECULAR ORBITALS;

AB INITIO MOLECULAR ORBITAL CALCULATION; BASIS SETS; GAUSSIAN FUNCTIONS; INTERMOLECULAR INTERACTIONS; MOLECULAR GEOMETRICS; NATURAL ORBITALS; ORBITAL BASIS SET;

ORBITAL CALCULATIONS;

EID: 85019709317     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9780470125786.ch1     Document Type: Chapter

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