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A Comment On Recent Proposals for the Calculation of Vibration-rotation Energies in More-than-3 Atom Molecules

Bibliographic reference Chapuisat, X. ; Belafhal, A. ; Nauts, André ; Iung, C.. A Comment On Recent Proposals for the Calculation of Vibration-rotation Energies in More-than-3 Atom Molecules. In: Molecular Physics : an international journal at the interface between chemistry and physics, Vol. 77, no. 5, p. 947-955 (1992)
Permanent URL http://hdl.handle.net/2078.1/50144
  1. Bramley Matthew J., Green William H., Handy Nicholas C., Vibration-rotation coordinates and kinetic energy operators for polyatomic molecules, 10.1080/00268979100101871
  2. Handy N.C., The derivation of vibration-rotation kinetic energy operators, in internal coordinates, 10.1080/00268978700101081
  3. Watson James K.G., Simplification of the molecular vibration-rotation hamiltonian, 10.1080/00268976800101381
  4. Sørensen Georg Ole, A new approach to the Hamiltonian of nonrigid molecules, Large Amplitude Motion in Molecules II ISBN:3540093117 p.97-175, 10.1007/bfb0048009
  5. Carter S., Handy N.C., The variational method for the calculation of RO-vibrational energy levels, 10.1016/0167-7977(86)90006-7
  6. Sutcliffe B.T., Methods of Computational Chemistry (1991)
  7. Chapuisat Xavier, Nauts André, Brunet Jean-Phillippe, Exact quantum molecular Hamiltonians : Part I. Application to the dynamics of three particles, 10.1080/00268979100100011
  8. Chapuisat Xavier, Iung Christophe, Vector parametrization of theN-body problem in quantum mechanics: Polyspherical coordinates, 10.1103/physreva.45.6217
  9. Sutcliffe B.T., A comment on a recent proposal for the calculation of vibrational energies in the general triatomic molecule, 10.1080/00268978300100391
  10. Carter S., Handy N.C., Sutcliffe B.T., A variational method for the calculation of rovibrational levels of any triatomic molecule, 10.1080/00268978300101521
  11. Sutcliffe Brian T., Tennyson Jonathan, A generalized approach to the calculation of ro-vibrational spectra of triatomic molecules, 10.1080/00268978600101801
  12. Carter S., Handy N. C., Mills I. M., Variational Calculations of Rovibrational States: A Precise High-Energy Potential Surface for HCN [and Discussion], 10.1098/rsta.1990.0117
  13. Brocks G., van der Avoird A., Sutcliffe B.T., Tennyson J., Quantum dynamics of non-rigid systems comprising two polyatomic fragments, 10.1080/00268978300102831
  14. Longuet-Higgins H.C., The symmetry groups of non-rigid molecules, 10.1080/00268976300100501
  15. Hougen Jon T., Classification of Rotational Energy Levels. II, 10.1063/1.1734253
  16. Bunker P.R., Molecular Symmetry and Spectroscopy (1979)