Collectivity, shell openness indices, and complexity measures of multiconfigurational states: Computations within full CI scheme

International Journal of Quantum Chemistry

Volumn 104, Issue 2 SPEC. ISS., 2005, Pages 167-180

  Luzanov, A V ^a   Zhikol, O A ^a  

^a INSTITUTE FOR SCINTILLATION MATERIALS   (Ukraine)

Author keywords

Determinantal full CI; Fock cyclic symmetry; Open shells; Spin free wave function; Unpaired electrons

Indexed keywords

COMPUTATIONAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; FERMIONS; HYDROCARBONS; MATRIX ALGEBRA; MOLECULAR STRUCTURE; QUANTUM THEORY;

DETERMINANTAL FULL CI; FOCK CYCLIC SYMMETRY; OPEN SHELLS; SPIN-FREE WAVE FUNCTIONS; UNPAIRED ELECTRONS;

ELECTRON ENERGY LEVELS;

EID: 23044480440     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20511     Document Type: Conference Paper

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