[molpro-user] Spin-Orbit matrix problems
Cristina Sanz Sanz
c.sanzsanz at bham.ac.uk
Thu May 21 14:34:05 BST 2009
Dear all,
I attach a pdf file in which I explain some problems I have obtained
when computing the spin-orbit
coupling matrix along the IBr potential curve. I hope I give a clear
idea about the problem.
Thank you in advance,
Cristina
--
Dr. Cristina Sanz Sanz
School of Chemistry Phone: +44 (0)121 414 7475
University of Birmingham Fax: +44 (0)121 414 4403
Birmingham B15 2TT email: C.SanzSanz at bham.ac.uk
Web page: http://che-gwlinux4.bham.ac.uk/~csanz/index.html
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