CCL: DFT for dispersion force



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 the  

method depends on the the nature of the studied system. 

What do are you trying to calculate  (energies, thermodynamics, structure, 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 method for the description of dispersion force in weakly bound system? 

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:  http://www.ccmsi.us

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