SUMMARY+?:analytical hessian with ECP
- From: "Ananikov V.P." <val (+ at +)
nmr1.ioc.ac.ru>
- Organization: IOCh
- Subject: SUMMARY+?:analytical hessian with ECP
- Date: Sun, 19 Oct 1997 05:49:22 -0700
Dear CCL'ers,
A week ago I asked about the programs that can perform analytical
hessian matrix calculations with ECP basis set. I thank to all
respondents and here is the summary of the information received:
It is already published in JPC, 100,10936 (1996), and this feature
will be available in coming Gaussian95 release.
Well, quite small summary.
(also I received many requests for the summary, but it only means
that many people are interesting in this kind of calculations).
Also, I would like to ask software developers:
What ab-initio packages(excepting G95) will have this feature in the
future versions? (if any ;-)
best regards,
sincerely,
Valentin.
Valentin P. Ananikov
NMR Laboratory
N.D. Zelinsky Institute of Organic Chemistry
Leninsky Prospect 47
Moscow 117913
Russia
e-mail: val (+ at +) nmr1.ioc.ac.ru
Fax (7095) 1355328
Phone (7095) 1359094, (7095) 9383536