On the formulation of a density matrix functional for Van der Waals interaction of like- and opposite-spin electrons in the helium dimer

Journal of Chemical Physics

Volumn 137, Issue 20, 2012, Pages

  Mentel, M ^a,b   Sheng, X W ^b,c   Gritsenko, O V ^a,b   Baerends, E J ^a,b,d  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b Pohang University of Science and Technology (POSTECH)   (South Korea)

^c SICHUAN UNIVERSITY   (China)

^d KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; DENSITY FUNCTIONALS; DENSITY MATRIX; DENSITY-MATRIX FUNCTIONAL THEORIES; DISPERSION ENERGIES; DISPERSION INTERACTION; DYNAMICAL CORRELATIONS; EXCHANGE-CORRELATIONS; FULL CI; FUNCTIONALS; HELIUM DIMERS; NATURAL ORBITALS; REDUCED-DENSITY MATRIX; TOTAL ENERGY; VAN DER WAALS; VAN DER WAALS INTERACTIONS;

ELECTROMAGNETIC DISPERSION; HELIUM; QUANTUM THEORY; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 84870548936     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4767774     Document Type: Article

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