Posted by Mariusz Radon on February 20, 2006 at 22:22:18:

Dear all,

Can anyone tell me please if these CSFs expansions are correct. Particularly I'd like to be sure that phases are correct!

uud = 1/sqrt(6) * ( 2|uud| - |udu| - |duu| )

udu = 1/sqrt(2) * ( |udu| - |duu| )

Am I right?

Thanks in advance!

Take care

PS: To make it more clear, the notation above is as follows: "uud" is spin adapted CSF in notation used e.g. in RASSCF, and |uud| is single determinant.

- Re: Question on CSF expansions
**Per Åke Malmqvist***11:33:00 2/22/06*(0)