Dear List,

I have been working on g-tensor calculations of both cations and anions of
large aromatic rings with fairly consistent results. In an extension of
this work we would like to add the effects of an external electric field
which is likely to mix the available MOs for the spin density. Is there a
way to do g-tensor calculations with an external electrostatic field using
ADF?

Best regards, Alex Angerhofer.

--
Dr. Alexander Angerhofer
Associate Professor of Chemistry
Department of Chemistry
The University of Florida
Box 117200
Gainesville, FL 32611-7200
USA
Tel.: (+1) 352 846 3281
alt.: (+1) 352 392 9489
lab : (+1) 352 846 3283
FAX : (+1) 352 392 0872