This topic is treated in the paper:
Exact Classical Quantum Mechanical Solutions for Atomic Helium Which Predicts Conjugate Parameters from a Unique Solution for the First Time - R.L. Mills, Physics Essays, Vol. 21(2), (2008), 103–141.
and also in Chapter 7 ("Two-electron Atoms") of Mills'...
Hi Justin Levy,
I double-checked the Spartan values and calculations for dimethyl sulfoxide and boron trichloride. Results are as follows:
Dimethyl sulfoxide is correct. Values obtained from Spartan 2004 were verified, giving 3-21G and 6-31G* values of -548.846594 au and -551.537050 au...
JustinLevy posted:
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They released a "paper" comparing their program to a quantum chemistry package (SPARTAN), in which they clearly compare the wrong values in order to claim spartan isn't even order of magnitude correct
Dimethyl sulfoxide
they list the experimental value as...