✦ LIBER ✦

Assigning vibrational spectra of highly excited molecules: classical and quantum vibrational dynamics of the H2O molecule

✍ Scribed by Shihari Keshavamurthy; Gregory S. Ezra

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 797 KB
Volume: 259
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(96)00727-0

No coin nor oath required. For personal study only.

✦ Synopsis

We study the classical and quantum mechanics of the 3-mode Baggot vibrational Hamiltonian for H20. Chirikov resonance analysis gives an approximate view of the classical phase space structure. Computation of periodic orbits and families of resonant 2-tori provides a more rigorous basis for the use of the Chirikov picture. Examination of classical surfaces of section together with quantum mechanical Husimi phase space distribution functions leads to a dynamical assignment of almost all 45 states considered. The most extensive mixing occurs via a 2-state avoided crossing.

📜 SIMILAR VOLUMES

Vibrational relaxation of highly excited

Vibrational relaxation of highly excited molecules: VV transfer from SF6 to N2O

✍ Yannis P. Vlahoyannis; Nathan Presser; Robert J. Gordon 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 428 KB

The vibrational spectra of the copper(II

The vibrational spectra of the copper(II) formates: Part III. The vibrations of the water molecules in Cu(HCOO)2 · 2H2O

✍ A.M. Heyns 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 908 KB

Analysis of the H2O molecule second-hexa

Analysis of the H2O molecule second-hexade interacting vibrational states

✍ O.N. Ulenikov; G.A. Ushakova 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 741 KB

The potential energy surface and the hig

The potential energy surface and the highly excited vibrational band origins of the water molecule

✍ Daiqian Xie; Guosen Yan 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 298 KB

The potential energy surface for the electronic ground state of the water molecule is optimized by means of a variational procedure using the exact vibrational Hamiltonian in the bond length-bond angle coordinates. In the optimization, Jensen's potential energy function (J. Mol. Spectry. 133 (1989)

The SO(2,1) dynamic-group approach to th

The SO(2,1) dynamic-group approach to the rotation—vibration spectra of diatomic molecules

✍ Dong J. Lee; Kook Joe Shin; Shoon K. Kim 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 302 KB

The rotation-vibration spectra of diatomic molecules are discussed with the aid of the SO ( 2.1) dynamic group. The eigenvector of the compact generator is explicitly obtained by realizing the generators in the four-dimensional polar coordinates. A special representation of the radial part of the ge

Vibrational predissociation of highly vi

Vibrational predissociation of highly vibrationally excited van der Waals molecules. A quantum-mechanical distorted-wave treatment for vibration and sudden approximation for rotation

✍ M. Aguado; P. Villarreal; G. Delgado-Barrio; P. Mareca; J.A. Beswick 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 451 KB

In this paper a three-dimensional quantum model to study vibrational predissociation of van der Waals molecules is applied to the +-He complex for very high vibrational (SO 4 ~14 64) of the 12 subunit The vibrations are described in the distorted-wave diabatic approximation while rotations are treat