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- W2017497746 abstract "It is proved that in general the INDO approximation to the full Roothaan theory does not lead to expressions which are invariant under a rotation of local atomic axes. However, when only s- and p-functions are used in the atomic basis set, the equations obtained are invariant due to the special properties of the p-functions. When d-orbitals are included into the basis set, rotational invariance is lost but can be restored if a supplementary approximation is introduced." @default.
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- W2017497746 title "Rotational invariance ofINDO theories includingd-orbitals into the basis set" @default.
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- W2017497746 doi "https://doi.org/10.1002/qua.560110502" @default.
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