A size-extensive modification of super-CI for orbital relaxation

Chemical Physics Letters

Volumn 410, Issue 1-3, 2005, Pages 165-171

  Mochizuki, Yuji ^a,b  

^a UNIVERSITY OF TOKYO   (Japan)

^b INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL MODIFICATION; CONVERGENCE OF NUMERICAL METHODS; HAMILTONIANS; HYDROGEN BONDS; OPTIMIZATION; THEOREM PROVING;

CONCURRENT ELECTRON RELAXATION FUNCTIONAL (CERF); ELECTRON DELOCALIZATION; RELAXATION ENERGY; SELF-CONSISTENT-FIELD (SCF); SIZE-EXTENSIVE MODIFICATION;

MOLECULAR PHYSICS;

EID: 20444435553     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.05.066     Document Type: Article

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