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Title: Ab initio calculations on low-lying electronic states of TeO₂ and Franck-Condon simulation of the(1)¹B ← X˜¹A₁ TeO₂ absorption spectrum including anharmonicity
Authors: Lee, Edmond P. F.
Mok, Daniel K. W.
Chau, Foo-tim
Dyke, John M.
Subjects: Ab initio calculations
Molecular electronic states
Tellurium compounds
Franck-Condon factors
Excited states
Vibrational states
Potential energy functions
SCF calculations
Configuration interactions
Laser beam effects
Spectroscopy computing
Bond lengths
Bond angles
Molecule-photon collisions
Issue Date: 15-Aug-2004
Publisher: American Institute of Physics
Source: Journal of chemical physics, Aug. 2004, v. 121, no. 7, p.2962-2974.
Abstract: (See Article file for details of the abstract.)
Rights: © 2004 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Edmond P. F. Lee et al., J. Chem. Phys. 121, 2962 (2004) and may be found at
Type: Journal/Magazine Article
DOI: 10.1063/1.1768164
ISSN: 0021-9606
Appears in Collections:ABCT Journal/Magazine Articles

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