对于单点能采用零点能校正。
经过零点能校正后能位面被作了出来。
The potential energy surface with zero-point energy correction is drawn.
通过振动分析对平衡态和过渡态进行了验证,并得到了零点能。
The equilibrium states and the transition state have been verified according to the number of imaginary frequency through vibrational analysis.
它指明了粒子有一个有量子机械作用而决定的能量最低值,我们将其称作为零点能。
It is the point at which particles have a minimum energy, determined by quantum mechanical effects, which is called the zero-point energy.
在各基组下均进行基组叠加误差(BSSE)和零点能(ZPE)校正求得结合能。
All the binding energies have been corrected by the basis set superposition error (BSSE) and zero point energies (ZPE).
经MP2电子相关和基组叠加误差(BSSE)以及零点能(ZPE)校正,求得分子间相互作用能;
The intermolecular interaction energy is calculated with MP2 electron correlation correction, basis set superposition error (BSSE) correction and zero point energy (ZPE) correction.
对所有多聚体分子间相互作用能的计算,进行基组叠加误差(BSSE)和零点能(ZPE)校正都是必要的。
The basis set superposition error (BSSE) and zero point energies (ZPE) corrections are absolutely necessary for the interaction energies of the clusters.
本文通过实验研究,分析电晕放电的特点,提出基于涡旋动力学理论的挠场与真空零点能相干原理来解释推力的产生。
This paper analyzes the trait of corona discharge by experiments, and then points out that the force of the Lifter is come from the vortex's dynamics.
依据量子理论,有效提取真空中的零点能,并以此作为驱动能源,可以解决微型飞行器由于必须携带燃料而增加重量等问题。
According to quantum theory, extracting the zero-point energy effectively and making it be impetus to micro-aircraft will help the micro aircraft to work without having to carry fuels.
因此,首先我们将会保持零点能的这个定义,但很快我们就会对它进行修改,使它在讨论成键时更合理,但是目前我们还是暂时采用这种定义。
So, for starters we'll keep that as our zero energy, we're going to change it soon to make something that makes more sense in terms of bonding, but we'll keep that as zero for now.
因此,首先我们将会保持零点能的这个定义,但很快我们就会对它进行修改,使它在讨论成键时更合理,但是目前我们还是暂时采用这种定义。
So, for starters we'll keep that as our zero energy, we're going to change it soon to make something that makes more sense in terms of bonding, but we'll keep that as zero for now.
应用推荐