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lingler

新虫 (初入文坛)

[交流] 求助:怎样查找/判断分子的跃迁距方向?

怎样查找/判断分子的跃迁距方向?需要计算吗?着急啊!多谢高手指教!!

[ Last edited by lingler on 2008-2-29 at 19:59 ]
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yuxiaolin

金虫 (小有名气)

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dnp(金币+1,VIP+0):thanks ^_^
first, through molecular symmetry, figure out the symmetry of the group state wavefunction and the excited state wavefunction during the transition.

seconday, through molecular symmetry, figure out the dipole symmetry.

then, calculate quantum intergal, , if it is not zero, that dipole direction is the transition direction
2楼2008-03-10 11:09:51
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