[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,

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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