On the rotational invariance of the fock equations in indo methods using d functions |
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Authors: | Joachim Schulz,Rü diger Iffert,Karl Jug |
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Abstract: | The rotational invariance of the Fock equations is investigated. It is demonstrated that the inclusion of d functions requires additional hybrid integrals which do not occur in the original version of INDDO . Calculations are performed with SINDO 1 on binding energies, ionization potentials, and dipole moments to show the differences between the various levels of approximation. |
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