[gpaw-users] electrostatic interaction

[Ask Hjorth Larsen]

Hello José Luís

Well, I don't have the book so I (and presumably others) may need some
further explanation of what the interaction is (is it a force, an
energy, a potential, ....?).  Otherwise it will be very difficult to
help.  (Of course even knowing the formula I am not necessarily able
to help)

Best regards
Ask

2014-07-07 16:54 GMT+02:00 sollebac <sollebac at gmail.com>:
> Hello Ask,
>
> ok, im looking for the dipole-dipole, quadrupole-quadrupole, etc..
> interaction ( Glen Jenness mail) , the
> equation 3.2.6 and 3.2.7, chapter 3 of the book,  "the theory of
> intermolecular forces", A.J. Stone  are the equations.
> thank you very much
> best regards
> Jose Luis
>
>
>
> On Sun, Jul 6, 2014 at 7:35 PM, Ask Hjorth Larsen <asklarsen at gmail.com>
> wrote:
>>
>> 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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>> > gpaw-users at listserv.fysik.dtu.dk
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>
>