| 查看: 1095 | 回复: 7 | |||
[交流]
泡利不相容原理吗这是？它怎么影响界面的结构呢？？？求指教 已有2人参与
|
|
The 1 ML Ag/MgO (1 0 0) shows the weakest binding of the interface, probably due to the dominant Pauli repulsive interaction between the Ag film and the MgO substrate。 泡利不相容原理吗这是？它怎么影响界面的结构呢？？？求指教 |
回复此楼» 猜你喜欢
一志愿华南理工大学331分材料求调剂
已经有11人回复
-
271求调剂
已经有40人回复
-
求调剂学校
已经有3人回复
-
332求调剂
已经有15人回复
-
297求调剂
已经有25人回复
-
本科西工大 324求调剂
已经有5人回复
-
297工科调剂?
已经有7人回复
-
调剂
已经有11人回复
-
08工学 309分求调剂
已经有7人回复
-
各位老师好，求调剂，本科211，一志愿天津大学生物与医药学硕，差两名录取。
已经有9人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 请大牛指教。关于截断动能、原子数目，K点密度
已经有4人回复
- 关于泡利不相容原理中的海森堡速度
已经有2人回复
liqizuiyang
木虫 (著名写手)
- 应助: 59 (初中生)
- 金币: 6859.5
- 散金: 261
- 红花: 94
- 帖子: 2093
- 在线: 708.9小时
- 虫号: 2366686
- 注册: 2013-03-21
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
2楼2014-04-11 17:57:22
3楼2014-04-11 19:06:46
liqizuiyang
木虫 (著名写手)
- 应助: 59 (初中生)
- 金币: 6859.5
- 散金: 261
- 红花: 94
- 帖子: 2093
- 在线: 708.9小时
- 虫号: 2366686
- 注册: 2013-03-21
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
4楼2014-04-11 19:30:50
5楼2014-04-11 20:25:40
mywai520
铁杆木虫 (著名写手)
- 应助: 339 (大学生)
- 金币: 10425.6
- 红花: 45
- 帖子: 1664
- 在线: 296.9小时
- 虫号: 265142
- 注册: 2006-07-09
- 专业: 凝聚态物性 II ：电子结构
★
小木虫: 金币+0.5, 给个红包，谢谢回帖
小木虫: 金币+0.5, 给个红包，谢谢回帖
|
Pauli principle causes same spin electrons to repel; a parameterization Consider localized electrons in a solid. One way to interpret the Pauli principle's effect is to imagine that the electrons have finite extent and are prevented from intersecting each other, like hard spheres. Compressing the solid causes the electrons to squeeze together and shrink, increasing their kinetic energy. This increase in kinetic energy manifests itself in a force resisting compression of the solid. This repulsive force is the dominant interaction between neutral molecules at short range -- it is the basis of the steric effect in chemistry, it prevents stars from collapsing, and prevents the reader from falling through the earth. Electrons do not have finite extent, of course, and even same spin electrons can interpenetrate each other. A more rigorous way to understand the origin of Pauli repulsion, outlined by Wilson and Goddard [22], is to compare the kinetic energy of an antisymmetrized product wavefunction with that of a Hartree product. In a Hartree product, the kinetic energy of the wavefunction is the sum of the orbital kinetic energies. In an antisymmetrized product, the kinetic energy is the sum of orthogonalized orbital kinetic energies; this mathematical simplification is the reason theorists often work in a basis of orthogonal molecular orbitals. Hence we can approximate the Pauli energy as the kinetic energy difference between orthogonalized versus non-orthogonalized orbitals. 详细了解可以参考该网页： http://www.wag.caltech.edu/home/jsu/Thesis/node20.html |
6楼2014-04-11 22:20:55
7楼2014-04-12 09:43:39
8楼2014-04-12 09:47:28
