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Readily programmable formulas for the LCAO two‐centre integrals over Slater‐type orbitals are derived which have numerically proved to give correct results in any practical case even for very high quantum numbers and which due to very simple recursion formulas require a minimum numerical effort. Also formulas for the LCAO electron–phonon matrix elements are given, and the way to use the given formulas to calculate the electron–electron interaction two‐centre integrals is described.
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H. Eschrig (1979) studied this question.
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