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µ«Éó¸åÈËȴ˵¡±The quantity D_e in Eq. (3) is not "the dissociation energy" but the well depth or the electronic binding energy. The dissociation energy, a measurable property denoted usually by , is equal to D_e minus the zero-point energy. D_0 depends on the nuclear masses, D_e does not. ¡°
Eq. (3)ÊÇMurrell-Sorbie (M-S) potential energy function£ºy=-De(1+a1(x-Re)+a2(x-Re)^2+a3(x-Re)^3)*exp(-a1(x-Re))
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3Â¥: Originally posted by fatpig8832 at 2014-11-18 15:59:49
dissociation energy£¨De£©=potential well depth£¨D0£©+ZPE

y=-De(1+a1(x-Re)+a2(x-Re)^2+a3(x-Re)^3)*exp(-a1(x-Re))

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kent1022: ½ð±Ò+20 2014-11-18 23:24:56
dissociation energy£¨De£©=potential well depth£¨D0£©+ZPE

y=-De(1+a1(x-Re)+a2(x-Re)^2+a3(x-Re)^3)*exp(-a1(x-Re))

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¡°ËùÒÔD0ÊÇbinding energy£¬DeÊÇdissociation energyÕâÓ¦¸ÃÊÇûÓÐÎÊÌâµÄ¡£¡±
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kent1022: ½ð±Ò+10 2014-11-19 09:11:11
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