Abstract
AbstractAnalytical properties of hydrogen‐like atomic orbitals (HAO) that are used in the MOLCAO approach to the quantum theory of molecules have been studied. Addition and expansion theorems for HAO have been proved, both in coordinate and momentum representations. A close relation has been established between HAO and the reduced Bessel functions of half‐integer indices. New methods are suggested to calculate integrals for atomic and molecular form factors, and multicenter integrals, for the HAO basis in the MO LCAO theory.
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