A study of vibrational excitations of HCN in the framework of an algebraic model

作者: R. Lemus , M. Sánchez-Castellanos

DOI: 10.1080/00268976.2011.604645

关键词:

摘要: The vibrational description of the hydrogen cyanide molecule is presented in framework U(2) × U(3) × U(2) algebraic model. In our approach Hamiltonian first written configuration space, and thereafter expressed an form by introducing a realization coordinates momenta terms familiar bosonic operators for harmonic oscillator. An anharmonization procedure then applied to Hamiltonian, which consists replacing new set belonging su(2) algebra stretches su(3) bends. This equivalent starting interacting Morse oscillators stretching degrees freedom, without any analog with method obtaining representation provides natural connection between spectroscopic parameters structure force constants. analysis exci...

参考文章(48)
Vincenzo Barone, Silvia Alessandrini, Malgorzata Biczysko, James R Cheeseman, David C Clary, Anne B McCoy, Ryan J DiRisio, Frank Neese, Mattia Melosso, Cristina Puzzarini, Computational Molecular Spectroscopy ,(2000)
Stefano Oss, Algebraic Models in Molecular Spectroscopy Advances in Chemical Physics: New Methods in Computational Quantum Mechanics, Volume 93. pp. 455- 649 ,(2007) , 10.1002/9780470141526.CH8
Lauri Halonen, Local Mode Vibrations in Polyatomic Molecules Advances in Chemical Physics. ,vol. 104, pp. 41- 179 ,(2007) , 10.1002/9780470141632.CH2
M. S. Child, L. Halonen, Overtone Frequencies and Intensities in the Local Mode Picture Advances in Chemical Physics. pp. 1- 58 ,(2007) , 10.1002/9780470142813.CH1
F. Iachello, S. Oss, Algebraic approach to molecular spectra: Two‐dimensional problems Journal of Chemical Physics. ,vol. 104, pp. 6956- 6963 ,(1996) , 10.1063/1.471412
Hua Wei, Tucker Carrington, The discrete variable representation of a triatomic Hamiltonian in bond length–bond angle coordinates Journal of Chemical Physics. ,vol. 97, pp. 3029- 3037 ,(1992) , 10.1063/1.463044
M. Carvajal, R. Lemus, A. Frank, C. Jung, E. Ziemniak, An extended SU(2) model for coupled Morse oscillators Chemical Physics. ,vol. 260, pp. 105- 123 ,(2000) , 10.1016/S0301-0104(00)00258-5
R. Lemus, M. Carvajal, J.C. López-V, A. Frank, Spectroscopic Description of H2O in the su(2) Vibron Model Approximation Journal of Molecular Spectroscopy. ,vol. 214, pp. 52- 68 ,(2002) , 10.1006/JMSP.2002.8571