Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Sakko, Arto ^a   Rubio, Angel ^b   Hakala, Mikko ^a   Hämäläinen, Keijo ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYSIS TOOLS; COMPUTATIONAL STUDIES; INELASTIC X RAY SCATTERING; RESPONSE FUNCTIONS; SPECTRAL WEIGHT; SPECTROSCOPIC METHOD; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT DENSITY; VALENCE ELECTRON; WAVE VECTOR;

BENZENE; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; ENERGY DISSIPATION; SCATTERING; SPECTROSCOPIC ANALYSIS; X RAY SCATTERING;

ELECTRON ENERGY LOSS SPECTROSCOPY;

NANOMATERIAL;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTRON ENERGY LOSS SPECTROSCOPY; QUANTUM THEORY; SMALL ANGLE SCATTERING; TIME; X RAY DIFFRACTION;

ALGORITHMS; MODELS, CHEMICAL; NANOSTRUCTURES; QUANTUM THEORY; SCATTERING, SMALL ANGLE; SPECTROSCOPY, ELECTRON ENERGY-LOSS; TIME FACTORS; X-RAY DIFFRACTION;

EID: 78650646290     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3503594     Document Type: Article

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