From pitman@SECS.UCSC.EDU  Sun May 30 10:33:17 1993
Date: Sun, 30 May 1993 17:33:17 PDT
From: Mike Pitman <pitman@SECS.UCSC.EDU>
To: chemistry@ccl.net
Message-Id: <0096D498.F872F7C0.28232@SECS.UCSC.EDU>
Subject: Transistion states with DFT


Hello,
	I was wondering about the state of development for methods of finding 
transition states with Density Functional Theory.  More specifically, how much
will programs like DGauss or Dmol give you, and how much do you have to do 
yourself?  Can they calculate normal vibrational modes?  Can they do any type 
of saddle point searching?  

	Pointers to literature, On-line docs, or words of experience from 
those in the know would be greatly appreciated.

	Thanks in advance. 

Mike Pitman
Dept. of Chemistry
Univ. of California, Santa Cruz
email: pitman@secs.ucsc.edu