Numerical Atomic Calculation
Hi Everybody;
I would very appreciate if someone could help me in the following:
I have to perform a relativistic atomic numerical calculation.
I need a program that integrate numerically the one-electron radial
schrodinger equation associated with each spin-orbital to be used as
reference orbitals. I have interest in the results using the local
spin density limit.
Thanks;
Helio
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* From Helio Anderson Duarte *
* Department of chemistry Departement de Chimie *
* University of Montreal Universite de Montreal *
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