Abstract

The contribution of the orbital values to the operators relate with 〈 p t〉 can be used as a quality test of basis sets. Momentum expectation values are applied as a criterion of basis set quality for the Mn( 6S) atom employing both GTO and STO basis sets. Detailed comparison suggests that orbital and total momentum values give information about the behavior of a basis set. A formulation of momentum expectation values for GTO functions is also included.

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