A new program for calculating matrix elements in atomic structure. To solve some problems concerning the electronic structure of atoms, one needs to evaluate the matrix elements of the Hamiltonian, including the electrostatic interaction, with respect to a basis set of configuration wave functions. These matrix elements may be expressed as weighted sums of radial Slater integrals. For a given set of configurations, the program defines which wave functions must be included in the basis set, computes all the arising coefficients of the radial integrals and, if these integrals are given, calculates the matrix elements.
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References in zbMATH (referenced in 6 articles )
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- Lima, P.M.: A new program for calculating matrix elements in atomic structure (1991)