CCL:basis set of DFT calculation
- From: Lin Ping <plin' at \`chemvx.tamu.edu>
- Organization: Department of Chemistry
- Subject: CCL:basis set of DFT calculation
- Date: Fri, 25 Jul 1997 18:09:04 -0500
I am trying to run DFT calculation resently. Since the ordinary basis
sets are optimized for ab initio calculation, I am wondering if there
are basis sets spectially designed for DFT calculation, which will
surely improve the result.
Any hints or references would be greatly appreciated.
Replies can send to me directly, I will summarize to the list.
Thank you very much in advance.
Department of Chemistry Phone No. : 409-862-9225
Texas A&M University E-mail : plin' at \`chemvx.tamu.edu
College Station TX 77843-3255 plin' at \`warbird.chem.tamu.edu