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模型近似下
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  model approximation
     By layered crystal model approximation,all-electron linear augmented plane wave film method is employed to investigate the atomic structure of surface alloy Cu(001)c(2×2)-Pd.
     在层晶模型近似下,采用薄膜全电子线性缀加平面波(LAPW)方法研究了表面合金Cu(001)c(2×2)-Pd的原子结构.
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     The simple neoulike wave functions are chosen as the molecular electronic wave functions for CH4, NHS, H2O and HF with one center spherical model approximation determined by means of variational method.
     本文选用类Ne原子解析波函数,在单中心球模型近似下,利用变分法计算了CH_4、NH_3、H_2O和HF分子的电子波函数的变分参数及基态总能量。
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     The simple lithium wave functions are chosen as the electronic wave functions of the H52+ cluster with one center spherical model approximation.
     在单中心球模型近似下,选用类Li原子解析波函数,用变分法计算了H52+团簇正四面体中心结构与能量.
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     The simple oxygen wave functions are chosen as the electronic wave function of the H + 9 cluster with one center spherical model approximation.
     在单中心球模型近似下 ,选用类O原子解析函数 ,用变分法计算了H+9团簇体心立方结构与能量。
短句来源
     The simple boron wave functions are chosen as the electronic wave functions of the H+7 cluster with one center spherical model approximation.
     在单中心球模型近似下,选用类碳原子解析波函数,用变分法计算了H+7团簇正八面中心的结构与能量.
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  “模型近似下”译为未确定词的双语例句
     Under the quasi-Δ_(33) doorway state model, The T matrix for π-~(12)C elastic scattering at the (3,3) resonance region is calculated.
     本文在Δ_(33)准门口态模型近似下,计算了(3.3)共振区的π~--~(12)C弹性散射的T矩阵,着重分析了模型参数的变化对角分布、总截面的影响。
短句来源
     A simple argonlike wave function is chosen as SiH4,PH3, H2S, HC1 molecular electronic wave function, with one-center spherical model approxi-mation, by means of variational method, the best parameter values of SiH4, PH3,H2S, HC1 one-center spherical symmetry wave function have been determined numerically and the total energies of ground state of molecules are calculated.
     本文选用类Ar原子的波函数近似地作为SiH_4,PH_3,H_2S,HCl分子的单中心球对称电子波函数。 在单中心球模型近似下,用变分法确定出了SiH_4,PH_3,H_2S,HCl分子的电子波函数最佳参数值,并计算了分子基态总能量。
短句来源
     A direct method based on Bond Obital Model from the true atomic wave functions issuggested for the calculation of core level shifts with both clean and adsorbel surfaces, takingthe Si(2p) electron on (100) surface as an example. The results are in agreement with theexperimental data. This demonstrates the application of the methed to the problem.
     本文以共价晶体硅的(100)面为例,直接采用原子波函数,在键轨道模型近似下计算了清洁和存在氧吸附的表面Si原子的2p能级结合能的位移,得到了与实验数据相吻合的结果,从而证明了利用这种方法研究芯能级结合能的位移是行之有效的.
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     The principle and method of evaluating the SODS are described by using the Debye model in this paper.
     本文描述了在德拜模型近似下,计算SODS的原理和方法;
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     On the one center spherical symmetry model electronic correlation energy is corrected,and the energies of ground state of molecules XH n(X=C、N、O、Si、P、S)are calculated. The results are more close to experimental values than SCF MO method's,It is obvioas that this treatment makes the approach to complicated multi center problem more effective.
     在单中心球对称模型近似下,将单中心的XHn分子体系的基态总能量公式进行相关能修正,并把得到的理论公式编成程序,计算了XHn(X=C、N、O、Si、P、S)分子基态总能量,其结果比用其它方法的计算结果更接近实验值,且计算量小,为解决多中心分子问题提供一有效途径
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  相似匹配句对
     The Macro-Economic Model of Market Economy
     市场经济宏观经济模型
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     S. models have been found.
     S.模型
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     E model of CRM.
     E模型
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     Media Effects of Toy Models at Hard Thermal Loop Approximation
     硬热圈近似理想模型介质效应的研究
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     The principle and method of evaluating the SODS are described by using the Debye model in this paper.
     本文描述了在德拜模型近似,计算SODS的原理和方法;
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  model approximation
The optimum design of the side walls of the supersonic section of a three-dimensional nozzle with two planes of symmetry is considered in the narrow channel model approximation, which reduces three-dimensional to two-dimensional flow.
      
The method is based on the gel model approximation with new boundary conditions for the minor-ion charge density (counterions and ions of salt).
      
The experimental data in the high-temperature region of the α-phase (290-1150 K) are approximated by an equation obtained within the two-band model approximation, and in the region of the β-phase-by linear dependence.
      
A simplified (model) approximation to the general solution is suggested that allows β(α) and α(s) to be written to any loop order.
      
The time behavior of three parameters characterizing the seismic process development, namely, the number of seismic events, accumulated conventional strain, and total energy of the events, was examined in terms of the model approximation.
      
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Under the quasi-Δ_(33) doorway state model, The T matrix for π-~(12)C elastic scattering at the (3,3) resonance region is calculated. The emphasis is put on that how the variety of the parameters in the model, which reflect many body correction in π-nucleus interaction and the properties of Δ(1232) -hole interaction, influences the angular distribution and total cross section. A comparison between theory and experiment is performed, and the agreement is satisfactory. It is interesting that in order to fit existed...

Under the quasi-Δ_(33) doorway state model, The T matrix for π-~(12)C elastic scattering at the (3,3) resonance region is calculated. The emphasis is put on that how the variety of the parameters in the model, which reflect many body correction in π-nucleus interaction and the properties of Δ(1232) -hole interaction, influences the angular distribution and total cross section. A comparison between theory and experiment is performed, and the agreement is satisfactory. It is interesting that in order to fit existed data, especially the angular distribution, the spin-orbit coupling interaction strength has to be positive which differs from the case for nucleon where it is negative.

本文在Δ_(33)准门口态模型近似下,计算了(3.3)共振区的π~--~(12)C弹性散射的T矩阵,着重分析了模型参数的变化对角分布、总截面的影响。这些参数反映了π~-核相互作用中多体修正和在核介质中Δ(1232)与核子相互作用的性质,理论结果与实验材料符合是满意的。特别有兴趣的是:为了符合实验材料,尤其是角分布,发现原子核中Δ(1232)的自旋轨道相互作用的强度V_(ΔLS)必须是正的,不同于核子的负值。

A direct method based on Bond Obital Model from the true atomic wave functions issuggested for the calculation of core level shifts with both clean and adsorbel surfaces, takingthe Si(2p) electron on (100) surface as an example.The results are in agreement with theexperimental data.This demonstrates the application of the methed to the problem.

本文以共价晶体硅的(100)面为例,直接采用原子波函数,在键轨道模型近似下计算了清洁和存在氧吸附的表面Si原子的2p能级结合能的位移,得到了与实验数据相吻合的结果,从而证明了利用这种方法研究芯能级结合能的位移是行之有效的.

The Mossbauer second-order Doppler shift (SODS) is a relativistic effect of thermal motion of atoms. It is one of the Mossbauer parameters. The isomer shift δIsa, and De-bye temperature θD can be obtained by means of studying the dependence of the SODS on temperature of the absorber.The principle and method of evaluating the SODS are described by using the Debye model in this paper. Debye temperature θD and the SODS at each measuring temperature for a-Fe sample have been calculated. The results are compared...

The Mossbauer second-order Doppler shift (SODS) is a relativistic effect of thermal motion of atoms. It is one of the Mossbauer parameters. The isomer shift δIsa, and De-bye temperature θD can be obtained by means of studying the dependence of the SODS on temperature of the absorber.The principle and method of evaluating the SODS are described by using the Debye model in this paper. Debye temperature θD and the SODS at each measuring temperature for a-Fe sample have been calculated. The results are compared with the values reported in literatures and the theoretical values of the SODS for 57Fe.

穆斯堡尔二次多普勒能移(SODS)是原子热运动的一种相对论效应,它是穆斯堡尔参数之一,研究吸收体的SODS随温度的变化,可得到其同质异能移δ_(Is)和德拜温度θ_D。本文描述了在德拜模型近似下,计算SODS的原理和方法;并用该方法计算了α-Fe样品的德拜温度θ_D及在每一测温点下的SODS;还把计算结果与文献值及~(57)Fe二次多普勒能移的理论值作了比较,进行了分析和讨论。

 
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