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Normal mode and isomerization bending states in HCP: Periodic orbit assignment and spectroscopic signature.
- Source :
- Journal of Chemical Physics; 6/22/1996, Vol. 104 Issue 24, p10055, 4p
- Publication Year :
- 1996
-
Abstract
- We present exact quantum mechanical bound-state calculations for HCP using an ab initio potential energy surface. The main result is the existence of two distinct families of bending states: one with normal-mode-type behavior and wave functions confined to small bending angles and the other one sampling the isomerization path all the way from H–CP to CP–H. Stable periodic orbits provide a clear-cut assignment. Possible relations to recent spectroscopic observations are discussed. © 1996 American Institute of Physics. [ABSTRACT FROM AUTHOR]
- Subjects :
- QUANTUM theory
POTENTIAL energy surfaces
WAVE functions
ISOMERIZATION
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 104
- Issue :
- 24
- Database :
- Complementary Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 7639200
- Full Text :
- https://doi.org/10.1063/1.471729