Implementation of gradient-optimization algorithms and force constant computations in BSSE-free direct and conventional SCF approaches

International Journal of Quantum Chemistry

Volumn 69, Issue 2, 1998, Pages 151-158

  Famulari, A ^a   Gianinetti, E ^a   Raimondi, M ^a   Sironi, M ^a  

^a UNIVERSITY OF MILAN   (Italy)

Author keywords

Analytic gradient Hessian; BSSE; Intermolecular interactions; SCF MI

Indexed keywords

EID: 0013451258     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)69:2<151::AID-QUA2>3.0.CO;2-U     Document Type: Article

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