[gpaw-users] electrostatic interaction

[Ask Hjorth Larsen]

Hello José Luís!

I suspect not.  Can the question be framed in terms of an actual formula?

For one thing it is difficult to define which part of the density
belongs to which molecule, if the meaning of "interaction" depends on
such a distinction.

Best regards
Ask

2014-06-27 0:10 GMT+02:00 sollebac <sollebac at gmail.com>:
> Dear gpaw users,
>
>  is there a way,  using gpaw/ase to calculate
> the electrostatic interaction between two molecules,
> dipole and quadrupole interactions ?
> thank you very much
> jose luis
>
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