Subject: DFT Basis sets.

From: [email-masked] (John Nicholas)
Date: Tue, 31 Dec 1996 11:24:03 -0800

Has anyone optimized a Mg tzvp basis set for use in DFT, consistent
with the Godbout (DGauss) basis sets?

Does anyone have a public domain shell to do basis set optimization
using G94? (something like second-order Newton Raphson?)

Thanks, John

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  John Nicholas                                 Office: (509) 375-6559
  Senior Research Scientist                        FAX: (509) 375-6631
  Environmental Molecular Sciences Laboratory     
  Pacific Northwest National Laboratory
  Mailstop K1-96
  Richland, WA 99352
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