光谱常数

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

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

由钠原子光谱测定里德伯常数

Determine the Rydberg constant with sodium atomic spectra

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 .

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 .

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 .

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

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 .

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

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 .