Full-configuration-interaction study of the metal-insulator transition in a model system: Hn linear chains n=4, 6,⋯, 16

International Journal of Quantum Chemistry

Volumn 111, Issue 13, 2011, Pages 3416-3423

  Bendazzoli, Gian Luigi ^a   Evangelisti, Stefano ^b   Monari, Antonio ^c  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b UNIVERSITÉ DE TOULOUSE   (France)

^c Boulevard des Aiguillettes   (France)

Author keywords

electron correlation; electron polarizability; full CI; hydrogen chains; localization tensor; metal insulator transition; particle hole entropy

Indexed keywords

AB INITIO; FULL CI; HYDROGEN ATOMS; HYDROGEN CHAINS; LINEAR CHAIN; LOCALIZATION TENSORS; MODEL SYSTEM; MOTT TRANSITIONS; PARTICLE-HOLE ENTROPY; POLARIZABILITIES;

ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; ELECTRONS; ENTROPY; HYDROGEN; METAL INSULATOR BOUNDARIES; METALS; POLARIZATION; SEMICONDUCTOR INSULATOR BOUNDARIES; TENSORS;

METAL INSULATOR TRANSITION;

EID: 79961002993     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.23047     Document Type: Article

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