Subject: DFT and intermolecular interactions

From: Darren Andrews <[email-masked]>
Date: Tue, 15 Dec 1998 14:45:11 +0000

Dear all,

Has anybody published a definitive investigation of the accuracy of
intermolecular energies/geometries/properties using DFT?  I want to
calculate the energy of interaction and lowest energy geometry between two
relatively large molecules for which MP2 or higher is out of the question.

Darren Andrews.

PostGraduate Student,
School of Chemistry,
University of Leeds,
Leeds.
LS2 9JT.
England.

[email-masked]

Tel: 0113 233 6594.
Fax: 0113 233 6565.