Subject: solvation of 3D spherical well

From: [email-masked] (Masahiko Katagari XPIRE 4-15-96 HOST John Newsam Tohoku University)
Date: Mon, 31 Jul 95 13:55:57 -0700

Dear CCLers:

        We are interested in the magnetic properties
of metal clusters in zeolite.

        We would like to use a quantum mechanical
program which calculates the eigenstates of the
3-dimensional periodic spherical wells, preferably,
a square-wave potential.

Or we would like to use the muffin-tin type potential.
However the potential we need to use is different from
the ordinary muffin-tin potential. In the ordinary
muffin-tin potential, the potential falls exponentially (?)
at the centers of the atoms.

        In the potential which we would like to use, the potential
is flat at the bottom.

Does anyone know a good tool or ideas ?
Any help is appreciated.

Masa Katagiri
BIOSYM Technologies, Inc.
9685 Scranton Road, San Diego, CA 92121, USA
[email-masked]