On Accurately Calculating Ionic Force with Finite Element Methods

来源 :第八届工业与应用数学国际大会 | 被引量 : 0次 | 上传用户：lxting86

【摘要】

：

　　The spurious oscillation of the total energy can be observed when using finite element methods to simulate the translational and/or rotational move of an el

【作者】

：

BaoGang[1]HuGuanghui[2]LiuDi[3]

【机构】

：

Zhejiang Univ.

【出处】

：

第八届工业与应用数学国际大会

【发表日期】

：

2015年期

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论文部分内容阅读

　　The spurious oscillation of the total energy can be observed when using finite element methods to simulate the translational and/or rotational move of an electronic structure.Such oscillation can negatively affect the calculation of the ionic force acting on the nucleus.

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On Accurately Calculating Ionic Force with Finite Element Methods

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