Recursion formulae for calculation of ov
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N. C. Datta; B. Sen
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Article
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1987
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John Wiley and Sons
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English
โ 314 KB
Multi-( Slater-type orbitals are frequently used in molecular orbital calculations. Master formulae and numerical tables are available in literature for overlap integrals between s, p , and d atomic orbitals up to principal quantum number (n) = 3 and for some other selected quantum numbers. However,