Molecular physics simulations



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Topic: Science > Physics
User: "Mark-T"
Date: 18 Jan 2006 10:48:57 PM
Object: Molecular physics simulations
I've been looking at the software used in solid state physics,
i.e. molecular dynamics. It seems they base everything on
electrostatics, just the Coulomb forces of the electron clouds.
It makes me wonder, at that level, don't magnetic effects contribute
anything?
Mark
.

User: "srp"

Title: Re: Molecular physics simulations 18 Jan 2006 11:02:09 PM
Mark-T a écrit :

I've been looking at the software used in solid state physics,
i.e. molecular dynamics. It seems they base everything on
electrostatics, just the Coulomb forces of the electron clouds.
It makes me wonder, at that level, don't magnetic effects contribute
anything?

Mark

They probably have something to do with the stability of the
energy levels, but there is no formal research on the issue.
André Michaud
.

User: "Marvin"

Title: Re: Molecular physics simulations 19 Jan 2006 10:44:29 AM
Mark-T wrote:

I've been looking at the software used in solid state physics,
i.e. molecular dynamics. It seems they base everything on
electrostatics, just the Coulomb forces of the electron clouds.
It makes me wonder, at that level, don't magnetic effects contribute
anything?

Mark

They are very much weaker than the electrostatic effects. In NMR they show up as
parts-per-million shifts.
.


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