Subject: Gd gaussian basis set for dft?

From: [email-masked] (Gustavo A. Mercier, Jr.)
Date: Wed, 26 Jul 1995 17:57:11 -0500

Hi!

I need help locating a gaussian basis set for dft computations using
Gd (Gadolinium) or other lanthanides. Ideally, I would prefered a
basis with effective core potentials that incorporate some of the
relativistic corrections.

I tried the ccl archives, and even the EMSL web site without success.

I remember that the developers of dgauss apparently have developed
some bs for the entire periodic table, and that this was supposed to
be available through the net. I have been unsuccessful in getting to
their site through infoseek and netscape.

Any help would be appreciated!

Sincerely,

Gustavo A. Mercier, Jr. M.D.-Ph.D.
NIH - LDRR
OD OIR LDRR
Building 10 Room B1N256
10 Center Dr MSC 1074
Bethesda, Maryland 20892-1074
phone: 301-402-3586, 301-496-1981
fax:      301-402-3216
e-mail: [email-masked]

---

From: "Wayne Huang" <[email-masked]>
Date: Wed, 26 Jul 1995 16:45:24 -0700

On Jul 26,  5:57pm, Gustavo A. Mercier, Jr. wrote:
> Subject: CCL:Gd gaussian basis set for dft?
> Hi!
>

In case you might be interested, we are currently developing semiempirical
parameter for Gadolinium, sampling all from large (quantum mechanically)
molecules and expecting to be available very soon (next month).

I will be interested to see summary of your quest.

--Wayne
-- 

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