Some formal properties of ensemble density functionals

International Journal of Quantum Chemistry

Volumn 113, Issue 8, 2013, Pages 1076-1085

  Joubert, Daniel P ^a  

^a UNIVERSITY OF THE WITWATERSRAND   (South Africa)

Author keywords

atoms molecules and solids; coulomb interaction energy; density functional theory; electronic structure theory; ensemble density theory; exchange and correlation energy; kinetic energy

Indexed keywords

COULOMB INTERACTION ENERGY; DENSITY FUNCTIONALS; ELECTRON-ELECTRON REPULSION; ELECTRON-ELECTRON REPULSION ENERGIES; ELECTRONIC STRUCTURE THEORY; ENSEMBLE DENSITY THEORY; EXCHANGE AND CORRELATION; FUNCTIONAL DERIVATIVES;

ELECTRONIC STRUCTURE; ELECTRONS; KINETIC ENERGY; KINETICS;

DENSITY FUNCTIONAL THEORY;

EID: 84874939345     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24150     Document Type: Article

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