๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

General anharmonic local mode approach to molecular vibrations

โœ Scribed by R. Lemus; A. Frank

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
243 KB
Volume
75
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

โœฆ Synopsis

An algebraic approach to describe the vibrational excitations of molecules is presented. The model is established in a local mode scheme and involves an anharmonization procedure in which the local harmonic oscillators associated to each internal degree of freedom are substituted by Morse oscillators through the introduction ลฝ . of U 2 algebras. This anharmonization corresponds exactly to the dominant Morse ลฝ . matrix elements involved in the harmonically coupled anharmonic oscillator HCAO model introduced by Child and Lawton. An application to methane is presented. แฎŠ 1999

๐Ÿ“œ SIMILAR VOLUMES

Anharmonicity: a route to vibrational lo
Anharmonicity: a route to vibrational localization
โœ Qing-shi Zhu; Hua-feng Li; Xiao-gang Wang ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 415 KB

The quenching effect of anhannonicity on the inter-bond coupling and Coriolis interaction is studied. The local to normal mode correlation diagrams for XY2 and XYJ stretching overtones up to ~60 and 20, respectively, are calculated in the normal mode model with Darling-Dennison resonances included.

Vibrational Excitations of Methane in th
Vibrational Excitations of Methane in the Framework of a Local-Mode Anharmonic Model
โœ R. Lemus; A. Frank ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 263 KB

The stretching and bending vibrations of methane are described in a local-mode anharmonic symmetry adapted model. Both Hecht-and Fermi-like interactions are considered. We start by establishing the Hamiltonian of the system in terms of internal coordinates and momenta. The Hamiltonian is then rewrit

Unified approach to molecular structure
Unified approach to molecular structure and molecular vibrations
โœ Joel M. Cohen; David Z. Goodson ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 931 KB

First-order dimensional perturbation theory is used to construct a Hamiltonian for the H: molecule without the Born-Oppenheimer approximation. The physical model that emerges has the three particles undergoing harmonic oscillations about a bent symmetric configuration. Despite its simplicity, the th

Coupled cluster description of anharmoni
Coupled cluster description of anharmonic molecular vibrations. Application to O3 and SO2
โœ V. Nagalakshmi; V. Lakshminarayana; G. Sumithra; M. Durga Prasad ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 345 KB

The coupled cluster method is applied to the calculation of vibrational levels of O3 and SO1 and compared with the self consistent field approximation (SCF) and accurate quantum calculations. It is found that CCM truncated at the S4 level provides a marginally better description than SCF for the gro