Atomic Correlation Energies and Experimental IPs
- From: Subhas Chakravorty <chakravo &$at$&
indiana.edu>
- Subject: Atomic Correlation Energies and Experimental IPs
- 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
Title: Atomic Correlation Energies and Experimental IPs
Ground state Energies for Atomic Ions :
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E.R. Davidson and S.J. Chakravorty
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J. Phys. Chem. 1996, 100, 6167-6172
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Published Figures of the work ( postscript )
Figure-1
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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)
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