Theoretical study of highly vibrational states of nonlinear triatomic molecules using Lie algebraic approach
Tóm tắt
The vibrational excitations of bent triatomic molecules are studied by using Lie algebra. The RMS error of fitting 30 spectroscopic data is 1.66 cm−1 for SO2. The results show that the expansion of a molecular algebraic Hamiltonian can well describe the experimental data. And the total vibrational levels can be calculated using this Hamiltonian. At the same time, the potential energy surface can also be obtained with the algebraic Hamiltonian.
Tài liệu tham khảo
citation_journal_title=J. Chem. Phys.; citation_title=Anharmonic vibrational properties of CH2F2: A comprison of theory and experiment; citation_author=R. D. Amos, N. C. Handy, W. H. Green; citation_volume=95; citation_publication_date=1991; citation_pages=8323-8323; citation_doi=10.1063/1.461259; citation_id=CR1
citation_journal_title=J. Chem. Phys.; citation_title=The wave packet motion and tetramolecular vibrational redistribution in CHX3 molecules under infrared multiphonon excition; citation_author=R. Marquardt, M. Quack; citation_volume=95; citation_publication_date=1991; citation_pages=4854-4854; citation_doi=10.1063/1.461703; citation_id=CR2
citation_journal_title=J. Chem. Phys.; citation_title=Vibrational calculations of rotational-vibrational energy levels of water; citation_author=C. L. Chen, B. Maessen, M. Wolfsberg; citation_volume=81; citation_publication_date=1985; citation_pages=1795-1795; citation_doi=10.1063/1.449368; citation_id=CR3
citation_journal_title=J. Chem. Phys.; citation_title=Algebraic approach to molecular rotation-vibration spectra. I Diatomic molecules; citation_author=F. Iachello, R. D. Levine; citation_volume=77; citation_publication_date=1982; citation_pages=3046-3046; citation_doi=10.1063/1.444228; citation_id=CR4
citation_journal_title=J. Chem. Phys.; citation_title=Algebraic approach to molecular rotation-vibration spectra. II Triatomic molecules; citation_author=O. S. Roosmalen, F. Iachello, R. D. Levine; citation_volume=79; citation_publication_date=1983; citation_pages=2515-2515; citation_doi=10.1063/1.446164; citation_id=CR5
citation_title=Classical Groups for Physicists; citation_publication_date=1974; citation_id=CR6; citation_author=B. G. Wybourne; citation_publisher=John Wiley
citation_title=Infrared and Raman Spectra of Polyatomic Molecules; citation_publication_date=1950; citation_id=CR7; citation_author=G. Herzberg; citation_publisher=Van Nostrand
citation_journal_title=J. Chem. Phys.; citation_title=A simple curvilinear internal coordinate model for vibrational energy levels of hydrogen sulfide and sulfur dioxide; citation_author=E. Kauppi, L. Halonen; citation_volume=96; citation_publication_date=1992; citation_pages=2933-2933; citation_doi=10.1063/1.461990; citation_id=CR8