Abstract
The variance-minimizing Roothaan-like equation derived in a preceding paper [1] gives rise to a double iteration procedure. The procedure is tested by application on some simple atomic systems, using Slater-type basis functions. The integrals needed for atomic systems and Slater-type basis functions are solved.
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Pauli, G., Kleindienst, H. A Hartree-Fock-Roothaan analogon using the principle of variance minimization. Theoret. Chim. Acta 64, 481–499 (1984). https://doi.org/10.1007/BF02399240
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DOI: https://doi.org/10.1007/BF02399240