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lx123ppp

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liqizuiyang

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ÅÝÀû²»ÏàÈÝÔ­ÀíÓ¢ÎÄÃû³ÆÎªpauli's exclusion principlie£¬Õâ¸öPauli  repulsive  interactionӦΪ×ÔÐý¼äÏ໥×÷Óá£
2Â¥2014-04-11 17:57:22
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lx123ppp

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by liqizuiyang at 2014-04-11 17:57:22
ÅÝÀû²»ÏàÈÝÔ­ÀíÓ¢ÎÄÃû³ÆÎªpauli's exclusion principlie£¬Õâ¸öPauli  repulsive  interactionӦΪ×ÔÐý¼äÏ໥×÷Óá£

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3Â¥2014-04-11 19:06:46
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liqizuiyang

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ÒýÓûØÌû:
3Â¥: Originally posted by lx123ppp at 2014-04-11 19:06:46
¡±Pauli  repulsive  interaction×ÔÐý¼äÏ໥×÷Óá°Õâ¸ö¶«Î÷ÔõôӰÏì½çÃæµç×ӽṹ»ò½çÃæ½áºÏÄÜÁ¦ÄØ£¿£¿£¿Ð»Ð»...

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4Â¥2014-04-11 19:30:50
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lx123ppp

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by liqizuiyang at 2014-04-11 19:30:50
ÎҵIJ²âÊÇÕâÁ½¸ö×é·Ö(Ag/MgO)¿ÉÄܳöÏÖ×ÔÐý¼«»¯£¬ÇÒ¼«»¯·½ÏòÏàͬ£¬½á¹ûÊÇÏ໥Åų⣬½áºÏÄܽµµÍ¡£...

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5Â¥2014-04-11 20:25:40
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mywai520

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


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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.


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http://www.wag.caltech.edu/home/jsu/Thesis/node20.html
6Â¥2014-04-11 22:20:55
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lx123ppp

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
6Â¥: Originally posted by mywai520 at 2014-04-11 22:20:55
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  ...

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7Â¥2014-04-12 09:43:39
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lx123ppp

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
6Â¥: Originally posted by mywai520 at 2014-04-11 22:20:55
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  ...

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