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The vibration-rotation kinetic energy operator for sequentially bonded tetra-atomic molecules in internal coordinates

Ebrahimi, H ; Sharif University of Technology | 2007

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  1. Type of Document: Article
  2. DOI: 10.1080/00268970701551880
  3. Publisher: 2007
  4. Abstract:
  5. An exact vibration-rotation kinetic energy operator for polyatomic molecules has been obtained. Using this Hamiltonian for sequentially bonded tetra-atomic molecules, all rovibrational terms have been derived with internal coordinates as the vibrational variables. The present approach is greatly simplified with less algebra compared with conventional methods. Also, simple and explicit expressions for the vibration-rotation coupling terms in internal coordinates are presented
  6. Keywords:
  7. Hamiltonians ; Molecular vibrations ; Rotation ; Tetra atomic molecules ; Vibration rotation coupling ; Vibration rotation kinetic energy operators ; Vibrational variables ; Kinetic energy
  8. Source: Molecular Physics ; Volume 105, Issue 17-18 , 2007 , Pages 2269-2278 ; 00268976 (ISSN)
  9. URL: https://www.tandfonline.com/doi/abs/10.1080/00268970701551880