[gpaw-users] electrostatic interaction

[Ask Hjorth Larsen]

Hello José Luís

To me it doesn't sound like anything that is actually implemented, so
I wouldn't spend too much time scanning pages just for that.  Either
way best of luck.

Best regards
Ask

2014-07-12 2:49 GMT+02:00 sollebac <sollebac at gmail.com>:
> Hello Ask,
> It is a interaction energy, in my  case, is quadrupole-quadrupole,  but it
> could be other
> as dipole-dipole etc. I don't have all the book only part of it,  i will
> send a copy of the pages where the equation is.
> thank you
> best regards
> jose luis
>
>
>
>
> On Tue, Jul 8, 2014 at 4:12 PM, Ask Hjorth Larsen <asklarsen at gmail.com>
> wrote:
>>
>> 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
>> >> >
>> >> > _______________________________________________
>> >> > gpaw-users mailing list
>> >> > gpaw-users at listserv.fysik.dtu.dk
>> >> > https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>> >
>> >
>
>