A general efficient implementation of the BSSE-free SCF and MP2 methods based on the chemical hamiltonian approach

Journal of Computational Chemistry

Volumn 27, Issue 13, 2006, Pages 1505-1516

  Salvador, P ^a   Asturiol, D ^a   Mayer, I ^b  

^a UNIVERSITY OF GIRONA   (Spain)

^b CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

BSSE free SCF; Chemical Hamiltonian Approach; MP2

Indexed keywords

COMPUTATION THEORY; HAMILTONIANS; NUMERICAL ANALYSIS; PERTURBATION TECHNIQUES;

BSSE-FREE SCF; CHEMICAL HAMILTONIAN APPROACH; MP2; SINGLE POINT CALCULATIONS;

MOLECULAR DYNAMICS;

EID: 33748523462     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20457     Document Type: Article

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