| 查看: 1094 | 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
366求调剂
已经有9人回复
-
材料工程085601，270求调剂
已经有37人回复
-
279学硕食品专业求调剂院校
已经有18人回复
-
290调剂生物0860
已经有31人回复
-
一志愿085802 323分求调剂
已经有13人回复
-
277求调剂
已经有23人回复
-
322求调剂，08工科
已经有4人回复
-
材料工程281还有调剂机会吗
已经有30人回复
-
化学070300 求调剂
已经有16人回复
-
化工学硕294分，求导师收留
已经有12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
