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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 20, 1971 - Issue 5
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Original Articles

Approximate relativistic correction term

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Pages 895-898 | Received 14 Sep 1970, Published online: 22 Aug 2006
 

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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