Subject: IP's and EA's of a conducting polymers

From: Arnold Alguno <[email-masked]>
Date: Wed, 21 Mar 2001 23:15:22 +0800 (PHT)

hello guys,

How to determine the Ionization Potentail (IP) and Electron Affinity (EA)
of the conducting polymers emplyoying DFT calculations? Furthermore, aside
> from HOMO/LUMO difference, what are other procedures to determine the Band
gap of a polymer?

thanks.

_________
Very truly yours,

ARNOLD C. ALGUNO
IITHEP, Department of Physics
MSU-IIT, Iligan City Philippines
[email-masked]
Mobile Phone No.:+63-919-427-8205