Subject: Re: CCL:Breakdown of Born-Oppenheimer approx.

From: "Dr. Heinz Schiffer" <[email-masked]>
Date: Tue, 26 Aug 1997 09:11:09 +0200

Ahmed Bouferguene wrote:
> 
> Hi all,
> 
>         Does anybody know a good reference dealing with the limitations of
> Born-Oppenheimer approximation and the way(s) used to solve such a
> problem ?
> 
>         Thanks all.
> 
>  Ahmed Bouferguene

Hi Ahmed,
there is a very good and readable reference by Brian Sutcliffe about
that subject. A rigorous mathematical analysis has been given a
few years ago by Combes, Duclos and Seiler. But I am not aware of
any recent calculations using adiabatic or non-adiabatic corrections
to the BO potential energy surface of molecules. May be some one else
know something about that. It would be interessting to hear about it 
on the list. 
Here are the above mentioned references :

	J. M. Combes, P. Duclos, R. Seiler
	The Born-Oppenheimer Approximation
	in : G. Velo, A. S. Wightman (eds.),
	Rigorous Atomic and Molecular Physics,
	Plenum Press, New York 1981, pp. 185-212
	(NATO Adv. Study Inst. Series, B 74 )

	B. T. Sutcliffe
	The Nuclear Motion Problem in Molecular Physics
	Advances in Quantum Chemistry 28 (1997) 65-80

I hope, this helps a bit.
Ciao
Heinz
-- 
Dr. Heinz Schiffer              Phone   ++49-69-305-2330                        
Hoechst CR&T                    Fax     ++49-69-305-81162                       
Scientific Computing, G864      Email   [email-masked]           
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