A study of the valence shell electronic states of pyrimidine and pyrazine by photoabsorption spectroscopy and time-dependent density functional theory calculations

Journal of Physics B: Atomic, Molecular and Optical Physics

Volumn 44, Issue 7, 2011, Pages

  Stener, M ^a,b   Decleva, P ^a,b   Holland, D M P ^c   Shaw, D A ^c  

^a UNIVERSITY OF TRIESTE   (Italy)

^b IOM CNR LABORATORIO TASC   (Italy)

^c DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC DIPOLE; FORBIDDEN TRANSITIONS; INTRAVALENCE TRANSITIONS; IONIZATION THRESHOLDS; OSCILLATOR STRENGTHS; PHOTOABSORPTION CROSS SECTIONS; PHOTOABSORPTION SPECTRA; PHOTOABSORPTION SPECTROSCOPY; PYRAZINES; RYDBERG EXCITATION; RYDBERG SERIES; THEORETICAL RESULT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT; TRANSITION ENERGY; VALENCE SHELLS; VALENCE TRANSITIONS; VIBRATIONAL PROGRESSIONS;

AROMATIC COMPOUNDS; ELECTRIC EXCITATION; ELECTRONIC STATES; EXCITATION ENERGY; RADIATION; RYDBERG STATES; SYNCHROTRON RADIATION;

DENSITY FUNCTIONAL THEORY;

EID: 79953669564     PISSN: 09534075     EISSN: 13616455     Source Type: Journal    
DOI: 10.1088/0953-4075/44/7/075203     Document Type: Article

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