查询词典 couple-electron pair approximation

Koopmans theorem is an approximation in molecular orbital theory , such as density functional theory , or Hartree-Fock theory, in which the first ionization energy of a molecule is equal to the energy of the highest occupied molecular orbital, and the electron affinity is the negative of the energy of the lowest unoccupied, i.e.

如同密度泛函理论或者Hartree－Fock理论，分子轨道理论中常用到的Koopmans 定理也是一种近似。

This is true for an arbitrarily small electron-phonon coupling within the mean-field adiabatic approximation, which treats the phonon degree of freedom classically.

在电子半满情况下，晶格形成二聚化，基态具有二聚化长程序；在平均场近似下，声子自由度是经典的，对于任意小的电声耦合，都有Peierls相变，基态是二聚化的绝缘相。

These calculation results indicate that the Second-order Born approximation is available on researching the electron-atom scattering in a laser field.

计算结果表明，由二阶玻恩近似方法得出的结果与实验符合比较好，从而说明这种计算方法在研究激光场中电子—原子散射时是准确的。

Recent measurements on CO2-laser-assisted electron-atom collisions have shown large inconsistencies with the Kroll-Watson formula.We use Born approximation theory to carry out a detailed study of the problem.

最近的CO2激光辅助电子-原子碰撞的测量结果与K-W公式存在着非常大的差异，用玻恩近似理论对此进行了详细的研究。

In this thesis, with special concerns focused on the effects on the EPI by field in the non-equilibrium transport through a single-molecular quantum dot, non-equilibrium Green function technique and canonical transformation method under the adiabatic approximation for the local electron-phonon system have been applied.

在对哈密顿量进行有效等价的基础上，采用非平衡格林函数方法处理外加偏压所导致的非平衡输运，系统地研究了耦合在两电极间的量子点。

The fine structure Hamiltonian for Hydrogen-like atoms is derived using the nonrelativistic approximation of the Dirac equation for one electron moving in the Coulomb field.

从Coulomb场中运动的电子的Dirac方程出发，取其非相对论极限导出了类氢离子的精细结构哈密顿的表达式。

The definition of correlation energy in Electron Gas Approximation is not equivalent to that in Hartree-Fock framework.

电子气近似中的电子相关能与量子化学中的Hartree-Fock相关能在定义上不相互等同。

The second focal length of the lense is independent of the incident kinetic energy of the electron at the first order approximation.

电子在整个系统中的轨迹，文中并讨论透镜焦点与电子入射位置的关系及透镜的鉴别率。

Using the approximation of steady collisional-radiative equilibrium model, the interstage line intensity ratios of the K-shell lines of aluminum were given as a function of electron temperature and density.

利用稳态碰撞辐射平衡近似条件下的等离子体光谱辐射动力学模型，给出了Al激光等离子体Ly β线与He β线强度比以及Ly γ线与He γ线强度比与电子温度的函数关系。

The energy levels of free metallic ion were calculated with a 13 parameters model including the 2-body and 3-body interactions. The Stark energy levels of crystal field were calculated using the model proposed by Newman based on 1 electron orbital approximation The f-f oscillator strength calculation includes the contribution of electrostatic-induced, ligand polarization, vibronic-induced, magnetic dipolar transitions.

其中，自由f离子能级计算采用包括双电子与叁电子组态相互作用的二三参数模型，晶体场Stark分裂计算采用单电子轨道近似，用Newman角叠加模型计算晶体场参数。f-f跃迁振子强度计算包括静电诱导偶极跃、配体极化偶极跃、振动诱导电偶极跃迁及磁偶极跃迁的贡献。

This paper designs the communication system of radio telescope FAST.

针对500m口径球面射电望远镜FAST分布式控制系统的特点完成了其通信系统的设计。

Political sheep's step-by-step a large number of fossils unearthed in the county soil Ma Ali after rural village in the middle of sallow pelitic siltstone.

步氏和政羊化石大量出土于广河县阿力麻土乡后山村，产于灰黄色泥质粉砂岩中。