Approximate relativistic correction term |
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| Authors: | Sigeru Huzinaga Catalina Arnau |
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| Institution: | Department of Chemistry , The University of Alberta , Edmonton , Alberta , Canada |
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| Abstract: | It is demonstrated that the first-order relativistic correction term to the Schrödinger hamiltonian for the hydrogen-like atom,  cannot be used safely even for small values of atomic number, Z, in the variational calculation. A modified form of the operator R is proposed so that one may incorporate it into the variational treatment of molecular systems. |
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