Vibrational quantization of polyatomic molecules. II
- 1 December 1976
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 9 (17) , 3131-3140
- https://doi.org/10.1088/0022-3700/9/17/026
Abstract
For pt.I see Mol. Phys., vol.31, no.1, p.97 (1976). The semiclassical quantization method of Einstein (1917), Brillouin (1926) and Keller (1958) is applied to some model Hamiltonians of two degrees of freedom which simulate non-separable molecular vibrations. A numerical scheme is based on the variation principle for invariant toroids and is used to obtain the regular energy spectrum over a wide range of energies. The scheme is rapid and effective, being about a factor vmax2N/(N216N2+1/) faster than matrix diagonalization methods, where vmax is a typical maximum vibrational quantum number and N is the number of degrees of freedom.Keywords
This publication has 8 references indexed in Scilit:
- Semiclassical eigenvalues for nonseparable systems: Nonperturbative solution of the Hamilton–Jacobi equation in action-angle variablesThe Journal of Chemical Physics, 1976
- Vibrational quantization of polyatomic moleculesMolecular Physics, 1976
- Semiclassical calculation of bound states in a multidimensional system. Use of Poincaré’s surface of sectionThe Journal of Chemical Physics, 1975
- Semiclassical calculation of bound states of a multidimensional systemThe Journal of Chemical Physics, 1974
- Variational principles for the invariant toroids of classical dynamicsJournal of Physics A: Mathematical, Nuclear and General, 1974
- Regular and irregular spectraJournal of Physics B: Atomic and Molecular Physics, 1973
- Corrected bohr-sommerfeld quantum conditions for nonseparable systemsAnnals of Physics, 1958
- Remarques sur la mécanique ondulatoireJournal de Physique et le Radium, 1926