Orbital-free effective embedding potential: Density-matrix functional theory case

International Journal of Quantum Chemistry

Volumn 109, Issue 11, 2009, Pages 2520-2525

  Pernal, Katarzyna ^a   Wesolowski, Tomasz A ^b  

^a LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

^b UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

Density functional theory; Density matrix functional theory; Embedding potential

Indexed keywords

DENSITY MATRIX; DENSITY MATRIX FUNCTIONAL THEORY; DENSITY-MATRIX FUNCTIONAL THEORIES; ELECTRON DENSITIES; EMBEDDING POTENTIAL; INTEGER NUMBERS; INTERACTING ELECTRONS; NUMERICAL ACCURACY; ORBITALS; REFERENCE SYSTEMS; TOTAL ENERGY FUNCTIONAL; UNIVERSAL DENSITY;

ELECTRONS; MATRIX ALGEBRA; OPTIMIZATION; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 67649771676     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22016     Document Type: Article

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