Subject: Spin-orbit coupling constants

From: Raf Bruyndonckx <[email-masked]>
Date: Mon, 10 Aug 1998 17:39:32 +0200

Dear CCLers,

I am looking for a way to obtain the spin-orbit coupling
parameters (orbital-dependent). It is actually the
expectation value of (1/r . dV/dr).
Does anybody know of a program which does calculate these
constants (for atoms)? (preferably freeware)
Or do you have any reference on calculations already
performed?

Thanks in advance.

Raf

--

Raf Bruyndonckx
Department of Inorganic Chemistry
Univ Fribourg (Suisse)
Perolles

Tel: ++41 26 300 87 49
Fax: ++41 26 300 97 38

mailto:[email-masked]

http://sgich1.unifr.ch/ac/phd/rbruyn/