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Grid points of Gauss-Legendre quadrature as exponent parameters of basis functions of atomic hartree-fock wavefunctions
Authors:Osamu Matsuoka
Institution:Department of Physics, The University of Electro-Communications, Chofu, Tokyo, Japan
Abstract:Use of the grid points of the Gauss-Legendre numerical quadrature is examined as the exponent parameters of the basis functions of atomic Hartree-Fock wavefunctions. Calculations on He, Be, and Ne have been performed and reasonably accurate wavefunctions are obtained using 20 grid points or basis functions per symmetry species without any optimization of non-linear parameters.
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