CCL: DFT for dispersion force
- From: "Prof. Stefan Grimme"
<grimmes..uni-muenster.de>
- Subject: CCL: DFT for dispersion force
- Date: Tue, 15 May 2007 12:30:01 +0200
Sent to CCL by: "Prof. Stefan Grimme" [grimmes . uni-muenster.de]
Green Power powergreen*gmail.com wrote:
Hi, All
Can you recommend a recent review paper about DFT method for the
description of dispersion force in weakly bound system?
Thank you
Tian
Dear Tian,
we recently published a review about the DFT-D method
(that includes dispersion in an accurate and quite
efficient manner) in
S. Grimme, J. Antony, T. Schwabe, C. Mueck-Lichtenfeld,
Density Functional Theory with Dispersion Corrections for
Supramolecular
Structures, Aggregates, and Complexes of (Bio)Organic Molecules,
Org. Biomol. Chem. 5, (2007), 741-758.
This paper also includes a quite comprehensive list of
other DFT based schemes for van der Waals an related
complexes.
Best wishes
Stefan Grimme
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All theoretical chemistry is really physics and all
theoretical chemists know it. (R. P. Feynman)
All many-body physics is really chemistry and all theorists
know it. (Anonymous)
____________________________________________________________
Prof. Dr. Stefan Grimme (grimmes{}uni-muenster.de)
Organisch-Chemisches Institut (Abt. Theoretische Chemie)
Westfaelische Wilhelms-Universitaet, Corrensstrasse 40
D-48149 Muenster, Tel (+49)-251-83 36512/33241/36515(Fax)
http://www.uni-muenster.de/Chemie/OC/research/grimme/
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