Abstract
The inclusion of anharmonicity in the theoretical method of FC simulation which has significant effects on the simulated SVL emission spectra of CF2,5and some band sin the photoelectron spectra of F2O and Cl2O. Theoretically, the inclusion of anharmonicity should impove the reliability of the simulated spectra, and generally, simulated spectra including anharmonicity match better with observed spectra than those obtained within the harmonicity oscillator model, as expected.
Original language | English |
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Pages (from-to) | 1292-1305 |
Number of pages | 14 |
Journal | Journal of Chemical Physics |
Volume | 120 |
Issue number | 3 |
DOIs | |
Publication status | Published - 15 Jan 2004 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry