Multireference density functional theory with orbital-dependent correlation corrections

International Journal of Quantum Chemistry

Volumn 106, Issue 15, 2006, Pages 3312-3324

  Yamanaka, Shusuke ^a,c   Nakata, Kazuto ^a   Ukai, Takeshi ^a   Takada, Toshikazu ^b,c   Yamaguchi, Kizashi ^a,c  

^a OSAKA UNIVERSITY   (Japan)

^b NEC CORPORATION   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Complete active space perturbation theory; Excited states; Multireference density functional theory; Orbital dependent correlation

Indexed keywords

CORRELATION METHODS; ELECTRON ENERGY LEVELS; PROBABILITY DENSITY FUNCTION; RESONANCE;

COMPLETE ACTIVE SPACE PERTURBATION THEORY; EXCITED STATES; MULTIREFERENCE DENSITY FUNCTIONAL THEORY; ORBITAL DEPENDENT CORRELATION;

QUANTUM THEORY;

EID: 33750906918     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21164     Document Type: Conference Paper

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