Subject: ab initio / "Static" vs. Resonant Hyperpolarizability

From: "Damian G. Allis" <[email-masked]>
Date: Fri, 19 Mar 1999 10:58:33 -0500 (EST)

Greetings all,

	 I was wondering if anyone has any references to studies of the
accuracy of polarizability and hyperpolarizability calculations as a
function of basis set used.  I would like to know how much worse a 3-21g
calculation will be over a 6-31g, or how much worse a 6-31g will be over a
6-311g**, etc.  I'm looking for numbers AND reasons, if possible.

	Also, does anyone know definitively if the beta calculated by a
standard MOPAC97 "POLAR" run is the resonant beta, or is it a specific
beta for some transition which can be determined with more reading of the
output files?  Any references on this would be very helpful.

	I'll summarize everything.  

						thanks in advance,
						Damian A.

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