From owner-chemistry@ccl.net Sat May 27 10:31:00 2006
From: "diksha dharmendra makwani diksha[-]iitb.ac.in" <owner-chemistry]~[server.ccl.net>
To: CCL
Subject: CCL:G: hyperpolarizability calculations
Message-Id: <-31851-060527050612-21934-3bMyOfKH7ok6n7Bjyh5K8g]~[server.ccl.net>
X-Original-From: "diksha dharmendra makwani" <diksha###iitb.ac.in>
Date: Sat, 27 May 2006 05:06:10 -0400


Sent to CCL by: "diksha dharmendra makwani" [diksha~!~iitb.ac.in]
Hello everyone,

I am using Gaussian_03 for hyperpolarizability(beta SHG) calculation of molecules. In the initial part of the output i get beta in blockwise. What does that mean its not clear to me. In the middle and also at the end of the output i am having 18 componenets of beta which one are the appropriate ones?

Thanks and warm regards,

Dr. Diksha Makwani
Scientist
Department of Physics
IIT,Bombay
India
Ph.No. (022)25724543 (lab)