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Haven't been here in a while. Does the Linear Combination of Atomic Orbitals (LCAO) method of developing a basis set imply tight-binding ? Is there a way of using this basis set for not so tigtly bound (there is appreciable overlap) atomic orbitals and still maintain orthagonality between the atomic orbitals, which is required for a basis set representing the lattice wavefuntion ? I'm leaning towards no, but maybe somebody else has other information.

Best Regards

Modey3

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# LCAO Basis Sets

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