We can apply a uniform electric field to a molecule easily, but sometimes we do not want the whole molecule to be exposed to the same external electric field. My question is, how can we add an electric field to one part of the molecule, but not to the other parts?
Best, Riubin
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Re: electric field( No.1 )
Date: 2013/06/05 06:20
Name: T. Ozaki
Hi,
What kind of physical situation do you consider? Is it STM?
OpenMX does not have such a functionality. If you want to control the KS potential for a certain region, you need to modify the code of OpenMX.
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electric field
Re: electric field