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文内提出一种研究H2O和NO2高激发伸缩振动的U(2)代数模型,在极限条件下,该模型退化为一种非谐和耦合的局域模模型,用该模型的六个可调参数拟合实验数据,算得的标准偏差比相应的非谐和耦合的局域模型算得的偏差要小。 相似文献
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XY2型分子伸缩振动与弯曲振动耦合研究 总被引:1,自引:0,他引:1
本文研究一种推广的局域模模型,我们用局域坐标描述非线性XY2分子的伸缩振动,用简正坐标描述弯曲振动;对用曲线内坐标写出的势能函数和G矩阵元进行Taylor展开,保留了弯曲振动与伸缩振动耦合的交叉项,获得各阶哈密顿量,略去了五次以上的高阶项;用它对实验数据进行非线性最小二乘法的拟合,得出各个势能参数值,并用它们计算了H2O分子的振动光谱,计算结果与实验数据符合得较好。 相似文献
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光折变全息CO2激光局域热固定 总被引:3,自引:0,他引:3
提出用CO2激光对记录于LiNbO3晶体中的全息进行实时实时地局域热固定,通过脉冲加热和加载吸热体,可以使得温度范围在100~200℃之间的区域接近于加热光的形状,分布于一局部范围,文中给出了加热模型及其数值解,通过得到了最优解参数进行了一系列实验,实验结果显示,用CO2激光可以成功地光折变全息进行实时地地局域热固定,并且加热时间短,固定转换效率较高。 相似文献
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对红光上转换玻璃陶资PbF2+WO3+GeO2以及PbF2+WO3+GeF3+TmF3材料中的微晶相进行了喇曼光谱研究,获得了光谱表明PbF2+WO3+GeO2+YbF3+TmF3中的微晶是由PbF:Yb^3+、Tm^3+构成的,其中Yb^3+和Tm^3+替代部分Pb^2+的格位而形成了荷正电的局域杂质中心。这些局域杂质中心导致了PbF2+WO3+GeO2+YbF3+TmF3中局域电场的形成。除了 相似文献
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A U(2) algebraic model is presented to describe stretching vibrations of XYn (n = 2, 3, and 4) systems, where anharmonic interactions between the bond modes are considered. This model in a limit corresponds to an anharmonically coupled local-mode model. As an example, the model for a molecule XY4 is applied to recently observed spectra of methane in both gas and liquid phases, and the results obtained are in good agreement with the experiments. Copyright 1999 Academic Press. 相似文献
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A U(2) algebraic model is introduced for the spectrum of a molecule XY4, where the interactions between the stretch and bend modes are
described by Td symmetric Fermi resonance terms. The presented algebraic model in a limit corresponds to another model in recent literature. The vibrational spectrum of methane
(CH4) measured recently with modern spectroscopy techniques
is employed to test those models. The obtained standard
deviation between the observed and the calculated vibrational energy
levels in the algebraic model is smaller than that
in the corresponding model. 相似文献
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Xi-Wen Hou 《Il Nuovo Cimento D》1998,20(2):141-146
Summary An anharmonically coupled local mode model is used to study highly excited stretching vibrational spectra and intensities
of infrared transition in a tetrahedral molecule. This model is successfully applied to silane and silicon tetrafluoride.
The author is very grateful to Prof. Zhong-Qi Ma for his continuing interest, support and sound advice. This work was supported
by the National Natural Science Foundation of China and Grant No. LWTZ-1298 of the Chinese Academy of Sciences. 相似文献
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Xiang-Huai Wang Hai Lin Xi-Yi Chen Xiao-Gang Wang Dong Wang Ke Deng 《Molecular physics》2013,111(18):1409-1413
Coriolis interactions in local mode (n100) combination states of GeH4 are studied. Three widely used local mode models, the normal mode model with Darling–Dennison resonance included (NMDD) model and the anharmonically coupled anharmonic oscillator (ACAO) model with two different kinds of bond stretching variable, were used to calculate the values of the interaction parameters. As a test of these three models, the Coriolis interaction parameters of the local mode (3100) combination bands of the 74GeH4,72GeH4 and 70GeH4 species, recorded at a resolution of 0.015cm-1 on a Bruker IFS120HR Fourier transform spectrometer, are compared with the calculated results. There is good agreement. 相似文献
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Srinivasa Rao Karumuri Nirmal Kumar Sarkar Ramendu Bhattacharjee 《Journal of Molecular Spectroscopy》2009,255(2):183-104
In this paper the highly excited stretching and bending vibrational energy levels of some Nickel Metalloporphyrin molecules are studied by U (2) algebraic model. Its application to Nickel Octaethyl Porphyrin, Nickel Tetra Phenyl Porphyrin and Nickel Porphyrin are presented with fewer algebraic fitting parameters. The highly excited stretching and bending vibrational energy levels of these molecules are showing the energy clustering spectrum. 相似文献
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The lineshape of the carbon-oxygen stretching vibration for CO chemisorbed at the two-fold bridge sites and on top sites of Ni(111) has been measured over the temperature range 80 to 300 K with infrared reflection absorption spectroscopy. The bridge bonded CO undergoes pronounced broadening at higher temperatures while the terminally bonded CO is only slightly broadened. The results are interpreted according to a recent vibrational dephasing model developed for condensed phase molecules. In this model the dephasing is brought about by rapid energy exchange between low frequency modes of the substrate and low frequency modes of the molecule which are anharmonically coupled to the high frequency band being studied. 相似文献
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Motivated by inelastic neutron scattering data on Cs2CuCl4, we explore spin-1/2 triangular lattice antiferromagnets with both spatial and easy-plane exchange anisotropies, the latter due to an observed Dzyaloshinskii-Moriya interaction. Exploiting a duality mapping followed by a fermionization of the dual vortex degrees of freedom, we find a novel critical spin-liquid phase described in terms of Dirac fermions with an emergent global SU(4) symmetry minimally coupled to a noncompact U(1) gauge field. This "algebraic vortex liquid" supports gapless spin excitations and universal power-law correlations in the dynamical spin structure factor which are consistent with those observed in Cs2CuCl4. We suggest future neutron scattering experiments that should help distinguish between the algebraic vortex liquid and other spin liquids and quantum critical points previously proposed in the context of Cs2CuCl4. 相似文献
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Exact solutions of the eigenvalue problem of two coupled harmonic oscillators related to the Sp(4,R) Lie algebra are derived by using an algebraic method. It is found that the
energy spectrum of the system is determined by one-boson
excitation energies built on a vector coherent state
of Sp(4,R)\supset U(2). 相似文献
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A Raman scattering study of the pressure induced phase transition in thallium azide is discussed. The transition appears to be triggered by the softening of a mode at 33 cm?1, which is shown by a Green's function calculation to be anharmonically coupled to another mode of the same symmetry at 48 cm?1. 相似文献