Interrelations between the a priori and a posteriori BSSE correction schemes

International Journal of Quantum Chemistry

Volumn 100, Issue 4 SPEC. ISS., 2004, Pages 559-566

  Mayer, I ^a  

^a CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

Basis set superposition error; BSSE; BSSE correction (a priori and a posteriori); Chemical hamiltonian approach; Counterpoise correction

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; CHEMICAL BONDS; DOPING (ADDITIVES); HAMILTONIANS; PERTURBATION TECHNIQUES; SYNTHESIS (CHEMICAL);

BSSE; BSSE CORRELATION; CHEMICAL HAMILTONIAN APPROACH; COUNTERPOISE CORRECTION;

QUANTUM THEORY;

EID: 7544245603     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10827     Document Type: Conference Paper

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