DFT calculations of correlation energies for excited electronic states using MCSCF wave functions

International Journal of Quantum Chemistry

Volumn 91, Issue 3 SPEC, 2003, Pages 451-460

  San Fabian E ^a   Pastor Abia, L ^a  

^a UNIVERSITY OF ALICANTE   (Spain)

Author keywords

Correlation energy; MCSCF DFT calculations; Multideterminantal wave function

Indexed keywords

CORRELATION METHODS; GROUND STATE; NUMERICAL METHODS; PROBABILITY DENSITY FUNCTION;

CORRELATION ENERGIES; EXCITED ATOMIC STATES; MULTIDETERMINANTAL WAVE FUNCTION;

ELECTRONIC DENSITY OF STATES;

EID: 0037454937     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10435     Document Type: Article

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