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Author Topic: how to determine charge transfer from MullikenPopulation  (Read 3137 times)

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Offline zuriana auzar

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how to determine charge transfer from MullikenPopulation
« on: January 21, 2016, 09:13 »
Hi,

I have question to ask about how to determine charge transfer from mulliken population ?
Below i attached mulliken popuation data that i have run for my structure

TQ,
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Offline Jess Wellendorff

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Re: how to determine charge transfer from MullikenPopulation
« Reply #1 on: January 21, 2016, 10:34 »
I think you need some sort of "before vs. after" approach, that is, think of charge transfer as a result of some physical/chemical process in terms of the mulliken populations before and after this process.
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