Abstract
The operator associated with the so-called “time derivative of the dipole acceleration” formulation of the oscillator strength has previously been found to be invalid for excitations to or from s-orbitals. It is shown that the use of a cut-off Coulomb potential leads to contributions of delta functions and delta-function derivatives in the operator. These contributions restore the hermitian character of the operator with respect to s-orbitals, and this in turn leads to the correct values of the dipole transition moments for excitations involving s-orbitals.
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