Subject: Atomic Correlation Energies and Experimental IPs

From: Subhas Chakravorty <[email-masked]>
Date: Sat, 20 Apr 1996 13:45:59 -0500

http://ezinfo.ucs.indiana.edu/~davidson/atom/paper.html

Perhaps this URL is an useful one for reference. Please do download
the supplementary information. 

Subhas J Chakravorty
Ground state Energies for Atomic Ions :

E.R. Davidson and S.J. Chakravorty

J. Phys. Chem. 1996, 100, 6167-6172

Published Figures of the work ( postscript )

Figure-1
Figure-2
Figure-3
Figure-4
Figure-5
Figure-6

Supplementary figures and tables from the work

SCF Energies
MCSCF Energies
Correlation Energies
Non-Relativistic Total Energies
Experimental Ionisation Potentials from this work

Fits to the correlation contribution to CAS Ionization Potentials.

Dashed line is the previous estimate.
Solid line is the current refined estimate.
(postscript)

3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18