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.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry