Hybrid density-functional theory calculations of near-edge x-ray absorption fine-structure spectra: Applications on benzonitrile in gas phase

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 71, Issue 2, 2005, Pages

  Carniato, Stéphane ^a   Ilakovac, Vita ^a,b   Gallet, Jean Jacques ^a   Kukk, Edwin ^c   Luo, Yi ^d  

^a Universit Pierre et Marie Curie Paris 6   (France)

^b UNIVERSITÉ DE CERGY PONTOISE   (France)

^c UNIVERSITY OF OULU   (Finland)

^d ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; GAS DYNAMICS; MOLECULAR DYNAMICS; NITROGEN; PROBABILITY DENSITY FUNCTION; RESONANCE;

BENZONITRILE; FINE-STRUCTURE SPECTRUM; HYBRID DENSITY-FUNCTIONAL THEORY; NEAR-EDGE X-RAY ABSORPTION;

X RAY ANALYSIS;

EID: 33644526280     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.71.022511     Document Type: Article

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