[gpaw-users] electrostatic interaction

[sollebac]

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
> >
> >
>
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