Significant reduction of on-site coulomb energy U due to short-range correlation in an organic mott insulator

ChemPhysChem

Volumn 7, Issue 8, 2006, Pages 1820-1824

  Ohno, Kaoru ^a   Noguchi, Yoshifumi ^a   Yokoi, Toshihiro ^a   Ishii, Soh ^a   Takeda, Jun ^a   Furuya, Miou ^a,b  

^a YOKOHAMA NATIONAL UNIVERSITY   (Japan)

^b MURATA MANUFACTURING CO LTD   (Japan)

Author keywords

Coulomb hole; Dimerization; First principles calculations; Phase transitions; Radicals

Indexed keywords

CALCULATIONS; COULOMB INTERACTIONS; DIMERIZATION; ELECTRON-ELECTRON INTERACTIONS; ELECTRONS; PHASE TRANSITIONS;

COULOMB HOLE; COULOMB REPULSIONS; EXPECTATION VALUES; FIRST-PRINCIPLES CALCULATION; INTERMOLECULAR INTERACTION ENERGIES; RADICALS; SCREENED COULOMB INTERACTION; SHORT-RANGE CORRELATIONS;

MOTT INSULATORS;

EID: 33748211136     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200600144     Document Type: Article

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