spin-orbit potentials

akaledin at euch4c.chem.emory.edu akaledin at euch4c.chem.emory.edu
Sat Feb 12 22:53:17 GMT 2000

Dear support group,

I am doing some spin-orbit calculations and would like to use the ECP
approach. Is there a formula for getting contraction coefficients for
spin-orbit potentials from the regular ECP? I realize that they are related,
but cannot figure out the mathematical relationship?

Thanks in advance,


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