Subject: ECPs in DFT

From: [email-masked] (Tom Cundari)
Date: Wed, 08 Oct 1997 17:45:40 -0600

Hi,

Has there been any research on the application of effective core potential
methods to density functional theory?  I am more concerned with applications
for discrete chemical systems as opposed to calculations on extended,
solid-state systems.  I saw a paper by Hay and coworkers a LANL on the use
of HF-derived ECPs in DFT calcs, but a literature survey has otherwise come
up empty.

Any pointers to names or literature references would be most welcome.

Thanks in advance.

Sincerely,

Tom Cundari
Associate Professor of Chemistry

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Tom Cundari                                           Department of Chemistry
Associate Professor                                The University of Memphis
e-mail:[email-masked]           Memphis, TN 38152-6060
phone: 901-678-2629
FAX: 901-678-3447
http://www.chem.memphis.edu/umchem.html

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