From owner-chemistry@ccl.net Mon May 14 13:35:00 2007 From: "Alexandr Isayev alex]~[ccmsi.us" To: CCL Subject: CCL: DFT for dispersion force Message-Id: <-34255-070514132853-18213-DkBzKGyYbIR9VGFGLDvn6w-,-server.ccl.net> X-Original-From: Alexandr Isayev Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=iso-8859-1 Date: Mon, 14 May 2007 12:28:15 -0500 MIME-Version: 1.0 Sent to CCL by: Alexandr Isayev [alex_-_ccmsi.us]

Dear Tian,

To my knowledge, there is no good review in this field, yet.

However, there are whole zoo of methods. Therefore the choice of t= he

method depends on the the nature of the studied system.

What do are you trying to calculate (energies, thermodynamics, str= ucture, etc) ?

One of the most comprehensive approaches based on the has been developed= by Stefan Grimme

http://www.uni-muenster.de/Chemie.oc/research/grimme/publications.html

It also has been implemented into the codes.

Hope this will help,

Alexandr

Monday, May 14, 2007, 11:58:25 AM, you wrote:

>	Hi, All Can you recommend a recent review paper about DFT me= thod for the description of dispersion force in weakly bound system? <= /span> Thank you Tian

-------------------------------------------------------

Alexandr Isayev,

Graduate Research Assistant, and System Administrator

,+, Computational Center for Molecular Structure

and Interactions (CCMSI),

Jackson State University,

Jackson, MS USA

Tel: +(601) 979-1134

e-mail: alex(at)ccmsi.us

Web: ht= tp://www.ccmsi.us

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