Macroconfigurations in molecular electronic structure theory

International Journal of Quantum Chemistry

Volumn 99, Issue 4, 2004, Pages 210-220

  Khait, Yuriy G ^a,b   Song, Jie ^a   Hoffmann, Mark R ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

^b Prikladnaya Khimiya Russian Scientific Center   (Russian Federation)

Author keywords

Configuration interaction; Electron configurations; Incomplete model space; Restricted active space

Indexed keywords

CONFIGURATION INTERACTIONS; ELECTRON CONFIGURATIONS; INCOMPLETE MODEL SPACES; RESTRICTED ACTIVE SPACES;

CORRELATION METHODS; ELECTRONIC STRUCTURE; FLUORINE COMPOUNDS; HAMILTONIANS; MATRIX ALGEBRA; PERTURBATION TECHNIQUES; QUANTUM THEORY;

MOLECULAR STRUCTURE;

EID: 4344674057     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10852     Document Type: Conference Paper

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