- From: qftramos[
AT ]usc.es (Antonio Fernandez Ramos)
- Subject: semiclassical tunneling
- Date: Fri, 30 Sep 94 11:03:52 +0100
I'm interested in the semiclassical tunneling models.
Particularly, the models developed by N. Makri and W. H. Miller are
a powerful tool to calculate the splitting in symmetric
systems where there are protonic transference.
Do programs exist to make these calculations (using basis set
methods, TDSCF or/and classical trajectory simulations), if I have
output data of ab-initio calculations (minima, TS, frequencies,
IRC, LRP, etc ..)?
A. F. Ramos
E-mail: qftramos[ AT ]usc.es