[DFTB-Plus-User] Electric Field with Point Charges

Ben Hourahine benjamin.hourahine at strath.ac.uk
Thu Jul 12 21:54:14 CEST 2018


Hello Daniele,

The charges are either bare charges with 1/r potentials, or have a
surrounding envelope which softens the interaction. The total energy for
the interaction between the point charges and the atom charges is
evaluated, but the energy for the interaction between the point charges
is not included.

Could you clarify what else you need to know regarding the charges?

Regards

Ben

On 05/07/18 17:58, daniele selli wrote:
> Dear DFTB+ Users,
>
> I am writing to know how is the potential that is used when external 
> point charges (external electric field) are interacting with a certain
> system.
> In other words, how are point charges considered in the calculation?
>
> Thank you.
>
> Best Regards,
>
> Daniele Selli
>
>
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