A new internally contracted multi-reference configuration interaction method

Journal of Chemical Physics

Volumn 135, Issue 5, 2011, Pages

  Shamasundar, K R ^a   Knizia, Gerald ^a   Werner, Hans Joachim ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE ORBITALS; CLOSED SHELLS; COMPLEX EQUATIONS; COMPUTER ALGEBRA SYSTEMS; COUPLING COEFFICIENT; DENSITY MATRIX; DOMAIN SPECIFIC; FERROCENES; HIGH-ACCURACY; MULTIREFERENCE CONFIGURATION; ORBITALS; REFERENCE FUNCTIONS; SPIN-STATE; SPLITTINGS;

COPPER COMPOUNDS; IRON COMPOUNDS; SHELLS (STRUCTURES);

COMPLEXATION;

EID: 80051694826     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3609809     Document Type: Article

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