[molpro-user] spin orbit coupling parameter

Mivsam Yekutiel mivsamy at gmail.com
Mon Mar 16 00:52:58 GMT 2009

I am trying to calculate spin orbit matrix elements between triplet and
singlet excited states. Looking at the manual I couldn't  understand if
these matrix elements (generated for example by the TRANLS card) include the
spin-orbit coupling parameter or only the LS operator. Meaning, would I get:
<i|LS|j> or <i|zLS|j>, z being the spin-orbit coupling parameter, when
Thank you.
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