From owner-chemistry@ccl.net Tue Jan  3 03:03:01 2012
From: "Eli Lam elizabeth.shlam-$-gmail.com" <owner-chemistry^server.ccl.net>
To: CCL
Subject: CCL: Soc matrix elements
Message-Id: <-46106-120103030217-20755-zVUuSLa9REs/yTi0LdfGbA^server.ccl.net>
X-Original-From: "Eli  Lam" <elizabeth.shlam{}gmail.com>
Date: Tue, 3 Jan 2012 03:02:16 -0500


Sent to CCL by: "Eli  Lam" [elizabeth.shlam^^gmail.com]
Dear CCLers,

Happy New Year to all!
I've been learnt that the matrix element <Tm|Hsoc|Sn> relates directly to the 
radiative constant by the relation: 
kr proportional to [sum to n of <Tm|Hsoc|Sn>/(E(Sn)-E(Tm)]^2

In this case, I'd like to clarify 
1) if the element <Tm|Hsoc|Sn> is an imaginary number when breaks down into X, 
Y, Z components? (as there's an imaginary part in each direction as illustrated 
in Intro. to Ligand Field Theory by Ballhausen)
2) is kr proportional to the modulus of <Tm|Hsoc|Sn>?

Thank you so much!
Regards,
Eli