[Wien] Energy origin

[John Pask]

> I assume that by "rho" you mean the total charge including the ions,
> not just the electrons. 

Yes.

> In that case there is an issue for a system with a total nett charge.

No, since then the system must be finite (See previous message.)

John

> On 10/27/06, Laurence Marks <L-marks at northwestern.edu> wrote:
> > Slightly confused:
> > 1) Integral of rho*c vanishes only if integral of rho vanishes.....?
> > 2) What about for a not charge neutral system?
> >
> > On 10/27/06, John Pask <pask1 at llnl.gov> wrote:
> > >
> > > > Is this true independent of whether one has a charged or a charge
> > > > neutral system?
> > >
> > > This is true for any neutral system: integral of rho*V equals integral of
> > > rho*(V+c) since integral of rho*c vanishes for any constant c.
> > >
> > > John
> > >
> > > > On 10/27/06, John Pask <pask1 at llnl.gov> wrote:
> > > > >
> > > > > Dear Laurence,
> > > > >
> > > > > Whereas the potential is unique only up to an arbitrary constant, the
> > > > > total energy (per unit cell) in a periodic solid is well defined -- i.e.,
> > > > > no arbitrary constant. (Shifts in the potential cancel out in the Coulomb
> > > > > integrals.)
> > > > >
> > > > > John
> > > > >
> > > > > On Thu, 26 Oct 2006, Laurence Marks wrote:
> > > > >
> > > > > > Does anyone know of any good sources for understanding exactly what
> > > > > > the energy origin is in Wien?
> > > > > >
> > > > >
> > > > > --
> > > > > --------------------------------------
> > > > > John E. Pask
> > > > > Physicist
> > > > > Lawrence Livermore National Laboratory
> > > > > University of California
> > > > > P.O. Box 808, L-045
> > > > > Livermore, CA 94551 USA
> > > > > http://www-phys.llnl.gov/Research/Metals_Alloys/People/Pask/
> > > > >
> > > > > _______________________________________________
> > > > > Wien mailing list
> > > > > Wien at zeus.theochem.tuwien.ac.at
> > > > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > > > >
> > > >
> > > >
> > > >
> > >
> > > --
> > > --------------------------------------
> > > John E. Pask
> > > Physicist
> > > Lawrence Livermore National Laboratory
> > > University of California
> > > P.O. Box 808, L-045
> > > Livermore, CA 94551 USA
> > > phone/fax: +1 (925) 422-8392/2851
> > > pask1 at llnl.gov
> > >
> > > _______________________________________________
> > > Wien mailing list
> > > Wien at zeus.theochem.tuwien.ac.at
> > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > >
> >
> >
> > --
> > Laurence Marks
> > Department of Materials Science and Engineering
> > MSE Rm 2036 Cook Hall
> > 2220 N Campus Drive
> > Northwestern University
> > Evanston, IL 60208, USA
> > Tel: (847) 491-3996 Fax: (847) 491-7820
> > email: L-marks at northwestern dot edu
> > http://www.numis.northwestern.edu
> >
> 
> 
> 

-- 
--------------------------------------
John E. Pask
Physicist
Lawrence Livermore National Laboratory
University of California
P.O. Box 808, L-045
Livermore, CA 94551 USA
phone/fax: +1 (925) 422-8392/2851
pask1 at llnl.gov