Towards nonlocal density functionals by explicit modeling of the exchange-correlation hole in inhomogeneous systems

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 87, Issue 2, 2013, Pages

  Giesbertz, K J H ^a   Van Leeuwen, R ^a   Von Barth, U ^b  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

^b LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING CURVES; DERIVATIVE DISCONTINUITY; DIRECT MODELING; ENERGY FUNCTIONALS; EXCHANGE-CORRELATIONS; EXPLICIT DEPENDENCES; EXPLICIT MODELING; FINITE SYSTEMS; FUNCTIONALS; HYDROGEN MOLECULE; INHOMOGENEOUS SYSTEM; KOHN-SHAM ORBITALS; MOLECULAR BONDS; NONLOCAL DENSITIES; PAIR CORRELATION FUNCTIONS; STEP STRUCTURE; SUM RULE; TOTAL ENERGY;

PHYSICS;

MATHEMATICAL MODELS;

EID: 84874526997     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.87.022514     Document Type: Article

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