Subject: Re: CCL:grid based methods using SCF

From: [email-masked]
Date: Mon, 14 Feb 1994 09:36:37 +0200

Hi Jussi,

I have some experience and references for the finite-difference approach.

Please have a look at the following URL:

http://www.csc.fi/lul/leif/publications.html

Most of the quantum chemistry stuff is done using finite-differences.

Cheers,

-leif laaksonen

>Hi,
>
>Does anyone have references or implementations for grid based methods
>(that is finite difference or finite element methods) for solving schr–dinger
>equation using SCF? Esp. I'm interested in solvers which can cope with varying
>grid density.
>
>Thanks,
>
>Jussi
>
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