X3LYP

From: <crice=at=gwdg.de>
Subject: X3LYP
Date: Tue, 01 Jun 2004 19:10:25 +0200

Dear everyone,
 I was wondering if anyone had any information on how to run X3LYP calculations
 described by Xin Xu and William Goddard III  in any other program besides
 JAGUAR. This extended density functional seems very interesting to me, and if
 it describes hydrogen bonding much better than B3LYP, it would be a much
 faster and better DFT method.
 Thanks,
 Corey Rice
 Institut fuer Physikalische Chemie
 Georg-August-Universitaet
 Tammannstrasse 6
 D-37077 Goettingen
 Tel: (49)-551-3914322
 Fax: (49)-551-39 3117
 Email: crice=at=gwdg.de