Re: CCL:Spin-Orbit
- From: Kirk Peterson <kipeters(at)tyr0.chem.wsu.edu>
- Subject: Re: CCL:Spin-Orbit
- Date: Wed, 11 Jun 2003 09:37:19 -0700
Dear Valentina,
either Gamess or Molpro will do what you would like.
best wishes,
Kirk Peterson
On Wednesday, June 11, 2003, at 01:00 AM, Valentina VETERE wrote:
Dear all,
I'm looking for a Spin-orbit code that works with open-shell
electrons, on molecular wavefunctions, in a non-relativistic limit and
that give rice to monoconfigurational (1-determinant) wavefunction ..
Any idea????
valentina
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Kirk A. Peterson
Associate Professor
Department of Chemistry
Washington State University
Pullman, WA 99164-4630
Office: (509) 335-7867
Fax: (509) 335-8867
kipeters(at)wsu.edu
http://tyr0.chem.wsu.edu/~kipeters/
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