Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
Algebraic force-field Hamiltonian expansion for a strongly anharmonic potential: application to the (C)over-tilde state of SO2
Autore:
Sako, T; Yamanouchi, K; Iachello, F;
Indirizzi:
Univ Tokyo, Sch Sci, Dept Chem, Bunkyo Ku, Tokyo 1130033, Japan Univ Tokyo Tokyo Japan 1130033 ept Chem, Bunkyo Ku, Tokyo 1130033, Japan Yale Univ, Sloane Lab, Ctr Theoret Phys, New Haven, CT 06520 USA Yale Univ New Haven CT USA 06520 tr Theoret Phys, New Haven, CT 06520 USA
Titolo Testata:
CHEMICAL PHYSICS LETTERS
fascicolo: 1, volume: 299, anno: 1999,
pagine: 35 - 41
SICI:
0009-2614(19990101)299:1<35:AFHEFA>2.0.ZU;2-N
Fonte:
ISI
Lingua:
ENG
Soggetto:
BENDING VIBRATIONS; MODEL; MOLECULES; SPECTROSCOPY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
17
Recensione:
Indirizzi per estratti:
Indirizzo: Yamanouchi, K UnivnTokyo, Sch Sci, Dept Chem, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1130033, Japa Univ Tokyo 7-3-1 Hongo Tokyo Japan 1130033 yo 1130033, Japa
Citazione:
T. Sako et al., "Algebraic force-field Hamiltonian expansion for a strongly anharmonic potential: application to the (C)over-tilde state of SO2", CHEM P LETT, 299(1), 1999, pp. 35-41

Abstract

A new, algebraically expanded Hamiltonian is proposed to describe vibrations of strongly anharmonic polyatomic molecules. This Hamiltonian is used tostudy the vibrational-level energies of the (C) over tilde state of SO2. Acomparison with the conventional force-field method is made. Results of fitting the experimental vibrational-level energies show that (i) the algebraic Hamiltonian expansion reproduces the experimental level energies with a nearly equal root-mean-square deviation of the force-field expansion but with fewer parameters and that (ii) convergence for the suggested algebraic Hamiltonian expansion is much faster than that of the force-field expansion. (C) 1999 Elsevier Science B.V. All rights reserved.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 24/10/20 alle ore 14:12:51