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NBOs (like all Hermitian eigenfunctions) are intrinsically orthogonal, but the visual imagery of pre-orthogonal PNBOs and Mulliken-type relationships permit colloquial usage of older "overlap" terminology
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NBOs (like all Hermitian eigenfunctions) are intrinsically orthogonal, but the visual imagery of pre-orthogonal PNBOs and Mulliken-type relationships permit colloquial usage of older "overlap" terminology.
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