Carbon X-ray absorption spectra of fluoroethenes and acetone: A study at the coupled cluster, density functional, and static-exchange levels of theory

Journal of Chemical Physics

Volumn 138, Issue 12, 2013, Pages

  Fransson, Thomas ^a   Coriani, Sonia ^b   Christiansen, Ove ^c   Norman, Patrick ^a  

^a LINKÖPING UNIVERSITY   (Sweden)

^b UNIVERSITY OF TRIESTE   (Italy)

^c AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX POLARIZATION PROPAGATOR; COUPLED-CLUSTER SINGLES; COUPLED-CLUSTER SINGLES AND DOUBLES; COUPLED-CLUSTER THEORY; DENSITY FUNCTIONAL THEORIES (DFT); EXCHANGE-CORRELATION FUNCTIONALS; X-RAY ABSORPTION FINE STRUCTURE SPECTRUM; X-RAY ABSORPTION SPECTRUM;

ACETONE; CARBON; CHEMICAL SHIFT; CLUSTER ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRON CORRELATIONS; ETHYLENE; ORGANIC POLYMERS; POLARIZATION; X RAY ABSORPTION;

NUMERICAL METHODS;

ACETONE; CARBON; ETHYLENE DERIVATIVE;

ARTICLE; CHEMISTRY; QUANTUM THEORY; X RAY ABSORPTION SPECTROSCOPY;

ACETONE; CARBON; ETHYLENES; QUANTUM THEORY; X-RAY ABSORPTION SPECTROSCOPY;

EID: 84875795530     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4795835     Document Type: Article

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