CCL:G: hyperpolarizability calculations
- From: "diksha dharmendra makwani"
<diksha###iitb.ac.in>
- Subject: CCL:G: hyperpolarizability calculations
- 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)