Ab initio calculations on low-lying electronic states of TeO2 and Franck-Condon simulation of the (1)1 B2 ←X̃ 1A2 TeO2 absorption spectrum including anharmonicity

Journal of Chemical Physics

Volumn 121, Issue 7, 2004, Pages 2962-2974

  Lee, Edmond P F ^a   Mok, Daniel K W ^a   Chau, Foo Tim ^a   Dyke, John M ^b  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

^b UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; FLUORESCENCE; LASER BEAM EFFECTS; LIGHT ABSORPTION; MOLECULAR VIBRATIONS; NUMERICAL METHODS; POTENTIAL ENERGY; TELLURIUM COMPOUNDS;

ELECTRONIC ENERGIES; HARMONIC VIBRATIONAL FREQUENCIES; LASER INDUCED FLUORESCENCE (LIF); LOW LYING ELECTRONIC STATES;

ELECTRONIC STRUCTURE;

TELLURIUM; TELLURIUM DIOXIDE;

ARTICLE; ATOMIC ABSORPTION SPECTROMETRY; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; STATISTICAL ANALYSIS;

COMPUTER SIMULATION; DATA INTERPRETATION, STATISTICAL; MODELS, CHEMICAL; SPECTROPHOTOMETRY, ATOMIC; TELLURIUM;

EID: 4344644848     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1768164     Document Type: Article

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