Nuclear quantum effects in the structure and lineshapes of the N 2 near-edge x-ray absorption fine structure spectrum

Journal of Chemical Physics

Volumn 132, Issue 9, 2010, Pages

  Fatehi, Shervin ^a,b   Schwartz, Craig P ^a,b   Saykally, Richard J ^a,b   Prendergast, David ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; COMPUTATION THEORY; QUANTUM ELECTRONICS; TEMPERATURE DISTRIBUTION; X RAY ABSORPTION;

BORN-OPPENHEIMER APPROXIMATION; DENSITY FUNCTIONAL THEORY METHODS; DISCRETE VARIABLE REPRESENTATION; NEAR-EDGE X-RAY ABSORPTION FINE STRUCTURE SPECTRUM; NUCLEAR QUANTUM EFFECTS; TEMPERATURE DEPENDENCE; VIBRATIONAL FINE STRUCTURE; ZERO-POINT ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 77949372178     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3324889     Document Type: Article

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