Selected excitation for CAS-SDCI calculations

Journal of Computational Chemistry

Volumn 28, Issue 3, 2007, Pages 632-643

  Bories, Benoît ^a   Maynau, Daniel ^a   Bonnet, Marie Laure ^a  

^a UNIVERSITÉ PAUL SABATIER   (France)

Author keywords

Configuration interaction; Electron correlation; Quantum chemistry codes; Selected CI

Indexed keywords

CODES (SYMBOLS); EXCITATION ENERGY; MOLECULAR WEIGHT; ORGANOMETALLICS; QUANTUM THEORY; WAVE FUNCTIONS;

CONFIGURATION INTERACTION (CI); ELECTRON CORRELATION; QUANTUM CHEMISTRY CODES; SELECTED CI;

MOLECULAR DYNAMICS;

POLYENE; TRANSITION ELEMENT;

QUANTUM THEORY;

POLYENES; QUANTUM THEORY; TRANSITION ELEMENTS;

EID: 33847654641     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20588     Document Type: Article

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