芯电子

几种含芯电子相关能修正的G2和G2（QCI）方法

Core Electronic Correlation Modifications to G2 and G2 ( QCI ) Theories

含芯电子相关能修正的G2理论&G2（ful）

Core Electronic Correlation Modification of the Gaussian-2 Theory ── G2 ( fu1 )

在计算中还包含了零点振动能校正和芯电子和价电子相关校正，标量相对论效应和高于CCSD（T）理论水平的校正。

The zero-point vibrational energy correction , the core-valence electronic correction , the scalar relativistic effect and the high level correction beyond the CCSD ( T ) excitations have also been made in these calculations .

芯电子相关能的修正在精确计算中是十分必要的。

Core electronic correlation is necessary for accurate calculations .

希望大家还记得，价电子与芯电子的定义。

So , hopefully , you remember what we mean by valence electrons versus core electrons .

我们极少见到芯电子，会参与任何类型的反应。

We very rarely would see these core electrons actually being involved in any type of a reaction .

为了更进一步的减少计算量，构造了一种代替真实势的势函数，即赝势。它与真实的势在芯电子区域外的价电子轨道拥有同样的散射性质。

Pseudopotential can be constructed to further reduce the computational burden with a requirement that it keeps the same scattering properties as real potential for valence electrons outside a core region .

这是出于空间的考虑，要求你这么做是因为，你总是可以假定所有的，芯电子轨道都已经填满了。

That happens because of space issues that you were asked to do that , because you can always assume that all of the core orbitals are already going to be filled .

从能量的观点来看这是非常合理的，因为如果我们考虑一下，1，s，芯电子，它会被原子核束缚得非常非常紧。

It makes a lot of sense when we look at it energetically , because if we think about a1 s core electron , that 's going to be held really , really tightly to the nucleus .

基于等离子体锯齿弛豫振荡的测量和研究，结合芯区电子功率平衡的分析，获得一种可靠的确定芯区平均有效离子电荷数Zeff的测量方法。

The mean effective ion charge Z _ ( eff ) in the core of ohmic tokamak discharge has been determined from information on sawtooth-relaxations of the steady state plasma , using an analysis of the power balance of the plasma electrons in the plasma core .

价带电子能谱结果表明这两种表面相为金属性.Rb3d芯态电子能谱测量进一步证实了表面Rb4C60和Rb5C60吸附相的存在。

Valence band photoemission results exhibit that the surface phases are metallic .

结果表明：实现了激光加热靶丸的对称性内爆压缩，芯部电子密度达10~（23）cm~（-3），平均内爆速度为3.3×10~7cm/。

The results showed that the laser-driven implosion compression ratio was about 70 , the electron density reached 10 ~ ( 23 ) cm ~ ( - 3 ), the averaged implosion velocity was about 3.3 × 107 cm / s.

用户可以很便捷地将现有锁内传统的机械内芯替换为电子内芯，不需要对锁内结构和线路做任何调整。

Users simply replace the mechanical cylinders inside the existing locks with electronic cylinders ; no structural modifications or wiring are required .

计算得到0.4474MeV能量的电子在单模光纤中心能量沉积最快，分析发现对于这个能量的电子多数可以穿透到光纤芯处，电子能量在光纤芯处的沉积主要是由于电子能量的减小造成的。

Calculation find that electrons with energy of 0.447 4 MeV have the fastest energy deposition speed at the fiber core by analysis we also find that most electrons with that energy could reach the fiber core , while energy deposition is due to the energy decrease .