Subject: Renner effect - summary

From: [email-masked] (Jeffrey L. Nauss)
Date: Thu, 20 Jun 1996 13:56:48 -0400

A few days ago, I posed the following question to the CCL:

> One of the professors here came across in a QM text a sentence mentioning the
> "Renner effect".  It appears to be related to the Born-Oppenheimer
> approximation.  However, no one in our Department is familiar with the term
or
> have found a reference for it.
>
> If anyone has a reference for this "Renner effect" please forward the
> information to me.  Thanks...

There were many responses and I appreciate the time people took to respond.
 Basically, the Renner effect (or also called the Renner-Teller effect) is a
special case of the Jahn-Teller effect for linear molecules.  Both are
"vibronic interactions", the coupling of electronic states via nuclear motions,
 hence, the connection to the Born-Oppenheimer approximation.

Here are some references pointed out to us.

R. Renner, Z. Phys. 92, 172 (1934).

Isaac Bersuker, "Electronic Structure and Properties of Transition Metal
Compounds. Introduction to the Theory" , Wiley, New York, 1996 (~700 pages,
$95).

G.Herzberg, Electronic Spectra of Polyatomic Molecules (van Nostrand Reinhold,
1966)

G.Herzberg, Spectra and Structure of Free Radicals (Cornell Univ Press, 1971)

Per Jensen, M. Brumm, W. P. Kraemer, and P. R. Bunker: A Treatment of the
Renner Effect Using the MORBID Hamiltonian, J. Mol. Spectrosc., in press.

Porwol et al. Phys. Rev. B. 41:10510 1990

W.H.Green, N.C. Handy, P.J. Knowles and S. Carter, J. Chem. Phys 94,118-132
(1991)

W. P. Kraemer, P. Jensen and P.R. Bunker, Can. J. Phys. 72, 871-878 (1994)

P. Jensen, M. Brumm, W. P. Kraemer and P. R. Bunker J. Mol. Spec. 171, 31-57
(1995)

T. Barrow, R.N. Dixon, G. Duxbury, Mol. Phys, 27, 1217-1234 (1974)

Thanks again...

-- 
						Jeff Nauss

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*  UU    UU             Jeffrey L. Nauss, PhD                         *
*  UU    UU             Director, Molecular Modeling Services         *
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