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单中心球模型近似
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  one center spherical model approximation
     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。
短句来源
     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.
短句来源
     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.
短句来源
     The simple boron wave functions are chosen as the electronic wave functions of the H~2+_7 cluster with one center spherical model approximation.
     在单中心球模型近似下,选用类B原子解析波函数,用变分法计算了H27+团簇正八面体中心结构与能量.
短句来源
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  one center spherical model
     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。
短句来源
     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.
短句来源
     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.
短句来源
     The simple boron wave functions are chosen as the electronic wave functions of the H~2+_7 cluster with one center spherical model approximation.
     在单中心球模型近似下,选用类B原子解析波函数,用变分法计算了H27+团簇正八面体中心结构与能量.
短句来源
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  “单中心球模型近似”译为未确定词的双语例句
     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。
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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. Our results are close to SCF MO's, and the treatment of complicated multi-center problem is simplified greatly.

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。我们计算出的分子基态能量接近于SCFMO法计算结果。这样可使复杂问题的处理得到了大大简化。

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. The parameter values of the molecular electronic wave functions for the four molecules have been determined numerically and the total energies of state of the ground molecules are calculated. Using our molecular electronic wave functions and the effective potential, we have calculated the elastic total cross...

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. The parameter values of the molecular electronic wave functions for the four molecules have been determined numerically and the total energies of state of the ground molecules are calculated. Using our molecular electronic wave functions and the effective potential, we have calculated the elastic total cross sections, the momentum transfer cross sections and differential cross sections for scattering of slow electrons from CH4, NH3, H2O and HF molecules. Our results are compared with experimental datum and other theoretical results.

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。能量的计算结果与Hartree—Fock计算结果接近,与实验结果也比较符合。然后我们以算得的单中心波函数为分子的波函数,采用分波法系统地计算了慢电子与CH_4、NH_3、H_2O和HF分子弹性碰撞总截面和动量转移截面,并加以系统比较。计算结果与已有实验结果比较符合。

The simple nitrogen wave functions are chosen as the electronic wave function of the H 7 cluster with one center spherical model approximation.The energy curve of the body centered regular octahedral structure of the H 7 cluster is calculated by means of variational method.The result of the calculation shows that the cure has a minimal energy -3.987 h 0 at R =1.57 a 0( a 0= 0.529177 × 10 -10 m, h 0 =2.7eV).This means that...

The simple nitrogen wave functions are chosen as the electronic wave function of the H 7 cluster with one center spherical model approximation.The energy curve of the body centered regular octahedral structure of the H 7 cluster is calculated by means of variational method.The result of the calculation shows that the cure has a minimal energy -3.987 h 0 at R =1.57 a 0( a 0= 0.529177 × 10 -10 m, h 0 =2.7eV).This means that the body centered regular octahedral structure of the H 7 cluster may exist stably.

选用类N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H7团簇正八面体中心结构的能量.结果表明,当中心氢原子核到顶角氢原子核之间的距离R=1.57a0时,体系能量有一极小值-3.987h0(a0=0.529177×10-10m,h0=27.2eV).这表明H7团簇的正八面体中心结构是比较稳定的,因而H7团簇可能是存在的.

 
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