Subject: Atomic RHF Wavefunctions

From: John Kerkines <[email-masked]>
Date: Wed, 26 May 1999 16:41:02 +0300 (EET DST)

Dear CCL,

Often, most RHF wavefunctions for atoms have to be written as linear
combinations of a few Slater determinants for the RHF wavefunction to
maintain the correct spatial and spin symmetry, especially in excited
states of atoms. Since the coefficients of these Slater determinants are
determined by the momentum coupling schemes (Clebsch-Gordan, etc.), I was
wondering if there exists a computer program or a written compilation (in
paper or electronic form) of these wavefunctions for let's say the
low-lying electronic states of each atom (but not only for the ground
ones).

I'll summarize the replies for the list.

Regards,

************************************************************
* Ioannis S. Kerkines                                      *
* M.Sc. Student in Physical Chemistry                      *
* Department of Chemistry / University of Athens           *
* Panepistimiopolis      Tel: ++30 1 727-4569, 727-4551    *
* Zografou, 157 10       FAX: ++30 1 723-3219 (attn:)      *
* HELLAS (Greece)        Email: [email-masked]   *
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