Vibrational energies for triatomic molecules using a semi-classical trajectory method
作者： S.M. Colwell , N.C. Handy
DOI: 10.1080/00268977800100861
关键词:
摘要: Previously proposed, semi-classical quantization conditions are further examined and then used to calculate low-lying vibrational energy levels of SO2 H2O. Results compared with variational quantum-mechanical results, using various realistic analytic potentials.
harvard.edu
sci-hub.se 参考文章(15)
Sally Chapman, Bruce C. Garrett, William H. Miller, Semiclassical eigenvalues for nonseparable systems: Nonperturbative solution of the Hamilton–Jacobi equation in action‐angle variables The Journal of Chemical Physics. ,vol. 64, pp. 502- 509 ,(1976) , 10.1063/1.432266
G.D Carney, L.A Curtiss, S.R Langhoff, Improved potential functions for bent AB2 molecules: Water and ozone Journal of Molecular Spectroscopy. ,vol. 61, pp. 371- 381 ,(1976) , 10.1016/0022-2852(76)90328-3
K.S. Sorbie, N.C. Handy, Semiclassical eigenvalues for non-separable bound systems from classical trajectories: the higher energy levels Molecular Physics. ,vol. 33, pp. 1319- 1334 ,(1977) , 10.1080/00268977700101101
R.J. Whitehead, N.C. Handy, Variational calculation of vibration-rotation energy levels for triatomic molecules Journal of Molecular Spectroscopy. ,vol. 55, pp. 356- 373 ,(1975) , 10.1016/0022-2852(75)90274-X
N. C. Handy, S. M. Colwell, W. H. Miller, Semi-classical methods for vibrational energy levels of triatomic molecules Faraday Discussions of the Chemical Society. ,vol. 62, pp. 29- 39 ,(1977) , 10.1039/DC9776200029
K.S. Sorbie, Semiclassical eigenvalues for non-separable bound systems from classical trajectories Molecular Physics. ,vol. 32, pp. 1577- 1590 ,(1976) , 10.1080/00268977600102921
Walter Eastes, R. A. Marcus, Semiclassical calculation of bound states of a multidimensional system Journal of Chemical Physics. ,vol. 61, pp. 4301- 4306 ,(1974) , 10.1063/1.1681734
James K.G. Watson, Simplification of the molecular vibration-rotation hamiltonian Molecular Physics. ,vol. 15, pp. 479- 490 ,(1968) , 10.1080/00268976800101381
K.S. Sorbie, N.C. Handy, Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case Molecular Physics. ,vol. 32, pp. 1327- 1347 ,(1976) , 10.1080/00268977600102721
D. W. Noid, R. A. Marcus, Semiclassical calculation of bound states in a multidimensional system. Use of Poincaré’s surface of section The Journal of Chemical Physics. ,vol. 62, pp. 2119- 2124 ,(1975) , 10.1063/1.430777