Subject: CCL: Landau-Zener formula

From: "Andreas Heyden" <a.heyden!at!gmx.net>
Date: Fri, 15 Oct 2004 13:57:11 +0200 (MEST)

Dear All,

I am trying to approximate the role of intersystem crossing for a 
reaction mechanism. I use B3LYP-DFT with the TURBOMOLE QM-package.
I have heard that I can estimate the spin transition probability with
the Landau-Zener formula. In particular it should be possible with this
formula to see if the adiabatic assumtion I usually make is correct or not.

Can anyone give me some references to this Landau-Zener formula and tell me
what I need to use this formula. If possible can anyone even give me a
sample calculation.
I have no experience with non-adiabaticity, so if you know any review
article, please let me know.

Many thanks in advance,

Andreas Heyden
a.heyden!at!gmx.net

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