Explicit formulas and numerical tables for the overlap integral S between AO's (atomic orbitals) of two overlapping atoms a and b are given. These cover all the most important combinations of AO pairs involving ns, npu, and np1r AO's. They are based on approximate AO's of the Slater type, each containing two parametersp [equal to Z/(n-Il)], and n-Il, where n-Il is an effective principaI.quantum number. The S formulas are given as functions of two parameters p and t, where P=!(.u..+Pb)R/aH, R being the interatomic distance, and t= (.u..-Pb)/(.u..+J.lb). Master tables of computed values of S are given over wide ranges of p and t values corresponding to actual molecules, and also including the case p=O (intra-atomic overlap integrals). In addition, tables of computed S values are given for several cases involving 2-quantum s, p hybrid AO's.
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