Theoretical approximations to X-ray absorption spectroscopy of liquid water and ice

Journal of Electron Spectroscopy and Related Phenomena

Volumn 177, Issue 2-3, 2010, Pages 135-157

  Leetmaa, M ^a   Ljungberg, M P ^a   Lyubartsev, A ^a   Nilsson, A ^a,b   Pettersson, L G M ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

DFT; NEXAFS; Transition potential; Water structure; X ray absorption spectroscopy

Indexed keywords

ALTERNATIVE APPROACH; CLUSTER MODEL CALCULATION; CLUSTER SIZES; CONDENSED PHASE; EDGE FEATURES; EDGE REGION; ENERGY RANGES; ENERGY SCALE; EXCITED ELECTRONS; EXPERIMENTAL SPECTRA; FULL-CORE; FUNCTIONAL DEPENDENCE; ICE FILMS; INTERMOLECULAR VIBRATIONAL MODES; LIQUID WATER; REAL-SPACE; WATER STRUCTURE; X-RAY ABSORPTION SPECTRUM;

EXPERIMENTS; WATER ABSORPTION; X RAY ABSORPTION; X RAY ABSORPTION SPECTROSCOPY;

ABSORPTION SPECTROSCOPY;

EID: 77950520853     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.elspec.2010.02.004     Document Type: Article

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