Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

Journal of Chemical Physics

Volumn 141, Issue 3, 2014, Pages

  Van Den Bossche, M ^a   Martin, N M ^b   Gustafson, J ^b   Hakanoglu, C ^c   Weaver, J F ^c   Lundgren, E ^b   Gronbeck H ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b LUND UNIVERSITY   (Sweden)

^c J Crayton Pruitt Family Department of Biomedical Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; MOLECULES;

ADSORBED MOLECULES; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL VALUES; GRADIENT-CORRECTED; ISOLATED MOLECULES; NON-LOCAL EXCHANGE; REASONABLE ACCURACY; SELF-INTERACTION ERROR;

CORE LEVELS;

EID: 84904618642     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4889919     Document Type: Article

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