Subject: Guess on change in geometry

From: Matt Challacombe <MChalla~at~ICE.LANL.GOV>
Date: Tue, 5 Oct 2004 09:11:09 -0600

Hi,

I haven't seen much in the quantum chemistry literature on methods for 
creating a new guess to start an SCF after a change in geometry.  I'm guessing
this is something that most code developers take for granted, and never really
publish.  Do any of you CCL'ers out there have the intimate details of these
procedures for your code of choice?  

Thx, Matt

-- 
Matt Challacombe, Group T-12, LANL
MChalla~at~LANL.Gov, (505) 665-5905
http://www.t12.lanl.gov/~mchalla/