The vibrational spectrum of methane in an extended boson-realization model

Citation
M. Xie et al., The vibrational spectrum of methane in an extended boson-realization model, COMM TH PHY, 31(2), 1999, pp. 161-168
Citations number
22
Categorie Soggetti
Physics
Journal title
COMMUNICATIONS IN THEORETICAL PHYSICS
ISSN journal
02536102 → ACNP
Volume
31
Issue
2
Year of publication
1999
Pages
161 - 168
Database
ISI
SICI code
0253-6102(19990315)31:2<161:TVSOMI>2.0.ZU;2-C
Abstract
The vibrational spectrum of methane, including both stretching and bending vibrations, is calculated in terms of an extended boson-realization model, by taking into account the interactions between vibrations up to the fourth order. The problem of removal of spurious states is discussed in detail. T he term number in the Hamiltonian increases very fast as the interaction or der increases. When the spurious states are removed from the configuration space, the effective Hamiltonian is not unique. We find a method to greatly simplify the T-d invariant Hamiltonian without any error. Fitting 45 exper imental data with the Hamiltonian gives a root-mean-square energy deviation 3.96 cm(-1).