Attractive electron-electron interactions within robust local fitting approximations

Journal of Computational Chemistry

Volumn 34, Issue 17, 2013, Pages 1486-1496

  Merlot, Patrick ^a   Kjærgaard, Thomas ^a   Helgaker, Trygve ^a   Lindh, Roland ^b   Aquilante, Francesco ^b,c   Reine, Simen ^a   Pedersen, Thomas Bondo ^a  

^a UNIVERSITY OF OSLO   (Norway)

^b UPPSALA UNIVERSITY   (Sweden)

^c ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

Author keywords

convergence problems; density fitting; density functional theory; Hartree Fock; indefinite two electron integral matrix; resolution of the identity

Indexed keywords

CONVERGENCE PROBLEMS; DENSITY FITTING; HARTREE-FOCK; RESOLUTION-OF-THE-IDENTITY; TWO-ELECTRON INTEGRALS;

ALGORITHMS; ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRON-ELECTRON INTERACTIONS; ELECTRONS; MOLECULAR PHYSICS;

INTEGRAL EQUATIONS;

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; ELECTRON; KINETICS; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; ELECTRONS; KINETICS; MODELS, CHEMICAL; QUANTUM THEORY; THERMODYNAMICS;

EID: 84878115722     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23284     Document Type: Article

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