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Some symmetry aspects of the local-mode description of vibrational structure

✍ Scribed by William M. Gelbart; Paul R. Stannard; Mark L. Elert

Publisher
John Wiley and Sons
Year
1978
Tongue
English
Weight
335 KB
Volume
14
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

In the local‐mode description of vibrational structure, the nuclear coordinatesβ€”unlike the usual normal coordinatesβ€”do not reflect the molecular symmetry. Accordingly, the local‐mode product wave functions must be symmetry adapted. We discuss this simple procedure in light of its implications for the localization of vibrational energy and the dissociation limits of molecular excited states. These properties are in turn related to the separability of the total nuclear Hamiltonian and to the different ways in which the vibrational anharmonicity is β€œabsorbed” by the local and normal coordinates.

πŸ“œ SIMILAR VOLUMES

Effective rotational Hamiltonian of the
Effective rotational Hamiltonian of the local mode vibrational states
✍ Qing-shi Zhu πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 384 KB

The effective rotational Hamiltonians of the local mode states are derived for XY,, XY, and XY4 molecules by averaging the vibration-rotation Hamiltonians using the corresponding local mode vibrational wavefunctions. The results indicate that in a local mode vibrational state the molecular symmetry