Subject: Non-radiative transitions

From: Andrew Horsfield <[email-masked]>
Date: Wed, 10 Mar 1999 11:49:27 +0000 (GMT)

I have just implemented the "fewest switches" algorithm of John Tully for
carrying out non-adiabatic molecular dynamics in an LCAO code (which can
use either tight binding or density functional theory). I plan to use this
code to study non-radiative transitions in silicon.

My first problem is to find some simple systems for which answers are
already known in order to debug the code. Ideally I would like to use a
hydrocarbon or silicon based system since I have reliable tight binding
models for these. Does anyone know of calculated or experimental
non-radiative transition rates for such systems? 

Best regards,

Andrew

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   Andrew Horsfield       e-mail: [email-masked] 
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