光谱常数
- 网络spectroscopic constant
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BN~+,BN~-分子电子态能量及光谱常数的ABINITIO计算
Ab Initio Calculation of Electronic State Energies and Spectroscopic Constants of the BN + , BN - Molecules
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另外,我们也用CCSD(T)-h方法研究了一些涉及开壳层体系的典型反应的势垒,以及一些双原子开壳层分子的光谱常数。
The CCSD ( T ) - h approach has also been applied to study the energy barriers of several typical reactions , and spectroscopic constants of diatomic open-shell molecules .
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结果表明,修正的Murrell-Sorbie势能函数计算所得光谱常数与实验结果符合很好.表明修正的Murrell-Sorbie函数能更为精确地描述SiH(SiD)自由基分子基态的势能函数。
The results showed that the spectroscopic constants derived from the modified Murrell-Sorbie function are in very good agreement with the experimental data , which indicated that the modified Murrell-Sorbie function can correctly present the potential energy function of the ground state of SiH ( SiD ) radical .
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得出了离解能与振动光谱常数之间的关系。
It concludes the relationship of energy of dissociation and vibrating spectral constant .
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最后,将计算所得光谱常数与实验结果进行了分析对比,结果令人满意。
Finally , the spectrum constants were compared with the experimental data and the results are acceptable .
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在所得解析势能函数的基础上,通过解核运动的薛定谔方程得到各电子态的光谱常数。
Based on the APEFs , the spectroscopic parameters are calculated by solving Schro ¨ dinger equation of nuclear motion .
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利用得到的解析势能函数计算出的光谱常数与实验值符合很好,进一步确认了所得解析势能函数的可靠性和准确性。
Based on the APEFs , we have calculated the spectroscopic parameters and compared them with the available theoretical and experimental values .
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利用该势能函数,计算了20种分子的光谱常数,结果表明所有理论计算值均与实验值符合得非常好。
The spectroscopic constants of20 kinds of molecule are calculated by using the potential energy function , and all the calculation results are in good agreement with experimental data .
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导出了PuO和PuH双原子分子的Murrell-Sorbie势能函数曲线,在此基础上推导出光谱项常数和力常数。
Secondly , the Murrell-Sorbie potential energy functions for the diatomic molecules PuO and PuH have been obtained according to the ab initio data through the least square fitting . The spectroscopic constants for PuO and PuH have been derived from the potential energy functions .
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本文研究了金属取代酞菁衍生物(MPc)真空蒸镀薄膜在可见及近红外区域的吸收光谱和光学常数。
Both optical absorption spectra and optical constants of vacuum sublimed films ofa metal substituted phthalocyanine comPOund ( MPc ) were studied .
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报道含F铋系超导块材的XPS,红外光声光谱及晶格常数等变化,确定了F进入元胞O(2)的位置。
According to the changes of XPS , IR and lattice constants in bismuth ( lead ) system superconductor , the location of F substitution in O ( 2 ) has been determined .
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由钠原子光谱测定里德伯常数
Determine the Rydberg constant with sodium atomic spectra
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通过测量紫外吸收边的位置、红外振动光谱、晶格常数和居里温度的方法,测出晶体中的锂铌比([Li]/[Nb])为49.02/50.98。
The Li / Nb ratio of this crystal is 49.02/50.98 which is determined by means of ultraviolet absorption edge position , the IR vibrational spectrum , lattice parameters and Curie temperature .
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研究了用这种技术制备的a-Si:H薄膜的光学特性(透射率光谱、光学常数和光学带隙等)、晶相结构(用电子衍射图谱)、红外吸收光谱和光电导性能。
Optical properties including transmission spectra , optical constants and optical band gap , crystalline structure , infrared spectrometry and photoconductivity of the films deposited by S-gun magnetron sputtering were measured and studied .
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利用Murrell-Sorbie函数拟合出了解析势能函数,并计算出光谱参数和力常数。
The potential functions for title species were constructed by fitting the energy curves to the Murrell-Sorbie function , and the spectral data and force constants are derived .
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太阳能光谱内薄膜光学常数的测定
The optical property determination of thin films in the solar spectrum
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分子光谱中,分子常数是至关重要的。
It is important that we know molecular constants in molecular spectra .
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用色散及光谱理论测定普朗克常数
Measuring Plank Constant on the Basis of Dispersion Theory and Spectrum Theory
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对光电效应法测普朗克常数进行了理论分析,讨论了外推法、曲率法、最小二乘法和用色散及光谱理论测普朗克常数的方法,并进行对比研究。
The measurement of Plank constant by the photoelectric effect is analyzed theoretically the extrapolation method 、 the curvature method 、 the least square algorithm and the bohr theory are discussed and compared in constant .