Perturbative total energy evaluation in self-consistent field Iterations: Tests on molecular systems

Journal of Chemical Physics

Volumn 130, Issue 14, 2009, Pages

  Zhang, Yu Adam ^a   Wang, Yan Alexander ^a  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONALS; HARTREE-FOCK METHODS; MOLECULAR SYSTEMS; SELF-CONSISTENT FIELDS; TOTAL ENERGIES;

CURRENT VOLTAGE CHARACTERISTICS;

EID: 65249114195     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3104662     Document Type: Article

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