Dissociation of diatomic molecules and the exact-exchange Kohn-Sham potential: The case of LiF

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 83, Issue 6, 2011, Pages

  Makmal, Adi ^a   Kümmel, Stephan ^b   Kronik, Leeor ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b UNIVERSITY OF BAYREUTH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC POTENTIAL; DIATOMIC MOLECULES; ELECTRONIC CONFIGURATION; EXACT EXCHANGE; HIGHEST OCCUPIED MOLECULAR ORBITAL; INTER-ATOMIC DISTANCES; INTERATOMIC SEPARATION; KOHN-SHAM POTENTIAL; MOLECULAR DISSOCIATION; RELATIVE POSITIONS;

ATOMS; BINDING ENERGY; CHARGE TRANSFER; ION EXCHANGE; MOLECULAR ORBITALS; MOLECULES;

DISSOCIATION;

EID: 79961061008     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.83.062512     Document Type: Article

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