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Exact Quantum Molecular Hamiltonians .1. Application To the Dynamics of 3 Particles

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Chapuisat, X. Nauts, André [UCL] Brunet, JP.

A mathematical procedure to derive in a systematic manner exact quantum mechanical Hamiltonians for N-particle systems is presented. As an application, exact quantum mechanical Hamiltonians are obtained for the motion of three atoms, with the help of various sets of curvilinear internal coordinates and for various body-fixed frames of reference.

Document type Article de périodique (Journal article) – Article de recherche
Publication date 1991
Language Anglais
Journal information "Molecular Physics : an international journal at the interface between chemistry and physics" - Vol. 72, no. 1, p. 1-31 (1991)
Peer reviewed yes
Publisher Taylor & Francis Ltd (London)
issn 0026-8976
e-issn 1362-3028
Publication status Publié
Affiliation UCL
Links
  1. Nauts André, Chapuisat Xavier, Momentum, quasi-momentum and hamiltonian operators in terms of arbitrary curvilinear coordinates, with special emphasis on molecular hamiltonians, 10.1080/00268978500102031
  2. 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
  3. Nauts A., Chapuisat X., Hamiltonians for constrained N-particle systems, 10.1016/0009-2614(87)80435-9
  4. Murrell J.N., Molecular Potential Energy Functions (1984)
  5. Kuntz P.J., Atom-Molecule Collision Theory (1979)
  6. Chapuisat X., Molec. Phys. (1991)
  7. Handy N.C., The derivation of vibration-rotation kinetic energy operators, in internal coordinates, 10.1080/00268978700101081
  8. Wilson E. Bright, Decius John G., Cross Paul G., Lagemann R. T., Molecular Vibrations, 10.1119/1.1934101
  9. DeWitt Bryce Seligman, Point Transformations in Quantum Mechanics, 10.1103/physrev.85.653
  10. Watson James K.G., The vibration-rotation hamiltonian of linear molecules, 10.1080/00268977000101491
  11. Essén Hanno, Quantization and independent coordinates, 10.1119/1.11488
  12. Chapuisat Xavier, Nauts André, Durand Gérard, A method to obtain the Eckart hamiltonian and the equations of motion of a highly deformable polyatomic system in tems of generalized coordinates, 10.1016/0301-0104(81)85103-8
  13. Davydov A.S., Quantum Mechanics (1965)
  14. Delves L.M., Tertiary and general-order collisions, 10.1016/0029-5582(58)90372-9
  15. Smith Felix T., Participation of Vibration in Exchange Reactions, 10.1063/1.1730598
Bibliographic reference Chapuisat, X. ; Nauts, André ; Brunet, JP.. Exact Quantum Molecular Hamiltonians .1. Application To the Dynamics of 3 Particles. In: Molecular Physics : an international journal at the interface between chemistry and physics, Vol. 72, no. 1, p. 1-31 (1991)
Permanent URL http://hdl.handle.net/2078.1/51258