Ab initio extended density functional theory for strongly correlated electron systems: Fundamental aspects of the broken-symmetry approach and possible applications for molecular material design

Bulletin of the Chemical Society of Japan

Volumn 77, Issue 7, 2004, Pages 1269-1286

  Yamanaka, Shusuke ^a   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; FREE RADICALS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

HARTREE-FOCK THEORY; SPIN ORBITALS;

MOLECULAR STRUCTURE;

RADICAL;

AB INITIO CALCULATION; ACCELERATION; CONDUCTANCE; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRON; FERMION; HYPOTHESIS; MACROMOLECULE; MAGNETISM; MOLECULAR DYNAMICS; MOLECULAR MODEL; PARAMETER; PHENOMENOLOGY; QUANTUM CHEMISTRY; QUANTUM MECHANICS; QUANTUM THEORY; REVIEW; ROTATION; TECHNIQUE;

EID: 3343005592     PISSN: 00092673     EISSN: None     Source Type: Journal    
DOI: 10.1246/bcsj.77.1269     Document Type: Review

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