用局部代数方法描述OCS分子的振动激发

IF 2.3 3区 物理与天体物理 Q2 OPTICS
E. Suárez, O. Guzmán-Juárez, R. Lemus
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引用次数: 0

摘要

本文在多元守恒局部代数模型框架下研究了OCS分子的振动激励。首先以正模的形式建立构形空间中的哈密顿量,然后通过引入谐振子的玻色子实现将其转化为代数表示。然后对局部算子进行正则变换,将局部算子映射为SU(2) Morse类阶梯算子,从一开始就考虑非调和性。得到的哈密顿算符用局部算符表示,适用于任何分子体系,甚至适用于具有强正模行为的分子。在这个近似级别上,我们的方法比基于配置空间的方法有优势。该方法应用于OCS主同位素层。对86个实验能进行了振动描述,rms=0.36cm-1,哈密顿量包括22个光谱参数和与局域电位深度相关的3个外部参数。对同位素物的研究表明,最近引入的正常/局部参数与其光谱性质之间存在相关性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Description of vibrational excitations of the OCS molecule using a local algebraic approach

Description of vibrational excitations of the OCS molecule using a local algebraic approach
A study of vibrational excitations of the OCS molecule in the framework of a polyad conserving local algebraic model is presented. The description starts establishing the Hamiltonian in configuration space in terms of normal modes and later on translated into an algebraic representation by introducing the bosonic realization for harmonic oscillator. Then a canonical transformation to local operators is applied, which in turn are mapped to SU(2) Morse like ladder operators to take into account anharmonicities from the outset. The obtained Hamiltonian is given in terms of local operators suitable to be applied to any molecular system, even to molecules with strong normal mode behavior. Our approach represents an advantage over methods based on configuration space at this level of approximation. This approach is applied to the principal isotopologue of OCS. The vibrational description was carried out including 86 experimental energies with rms=0.36cm-1, with a Hamiltonian involving 22 spectroscopic parameters plus three external parameters associated with the depth of the local potentials. A study of the isotopologues shows a correlation between a normal/local parameter recently introduced and their spectroscopic properties.
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来源期刊
CiteScore
5.30
自引率
21.70%
发文量
273
审稿时长
58 days
期刊介绍: Papers with the following subject areas are suitable for publication in the Journal of Quantitative Spectroscopy and Radiative Transfer: - Theoretical and experimental aspects of the spectra of atoms, molecules, ions, and plasmas. - Spectral lineshape studies including models and computational algorithms. - Atmospheric spectroscopy. - Theoretical and experimental aspects of light scattering. - Application of light scattering in particle characterization and remote sensing. - Application of light scattering in biological sciences and medicine. - Radiative transfer in absorbing, emitting, and scattering media. - Radiative transfer in stochastic media.
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