Natural orbitals of several excited states of the He atom

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Abstract
A method is devised by which natural orbitals of the excited states of atomic two−electron systems can be calculated from integral transform wavefunctions of the kind described previously [J. Chem. Phys. 61, 2038 (1974)]. Illustrative calculations are presented for several singlet and triplet states of He. It turns out that excited S states of the He atom can be analyzed with sufficient accuracy in terms of natural s orbitals alone. This is not true for the ground state, which is considered here mainly in order to compare some of the present results to values obtained previously by different methods.