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Author Topic: mulliken population  (Read 4618 times)

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Offline jdgayles16

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mulliken population
« on: December 23, 2010, 00:52 »
Is there a way to use the projection list mulliken_population = MullikenPopulation(configuration=configuration) like mpsh function?
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Offline zh

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Re: mulliken population
« Reply #1 on: December 23, 2010, 03:55 »
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Offline jdgayles16

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Re: mulliken population
« Reply #2 on: January 3, 2011, 18:10 »
Question: Should the mulliken population change with the voltage, if the occupation of my homo is changing with the voltage?
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Offline zh

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Re: mulliken population
« Reply #3 on: January 4, 2011, 01:13 »
Yes, it should, because the applied voltage could introduce the charge redistribution in studied system.
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