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Variational calculation in the universal potential field with even-tempered functions

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Acta Physica Academiae Scientiarum Hungaricae

Abstract

Atomic one-electron energies and associated radial orthogonalized wavefunctions are calculated with the variational method. The potential field was a universal one and the trial functions were taken as linear combinations of Slater-type orbitals. The exponents were determined by a geometrical series which are sometimes called “even-tempered” exponents [1]. Energies, linear coefficients, exponents are tabulated for Li, O, Cr, Cu atoms, respectively. The agreement with the experimental results and other theoretical ones is good.

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Gáspár, R., Szabó, J. & Szaniszló, J. Variational calculation in the universal potential field with even-tempered functions. Acta Physica 39, 261–273 (1975). https://doi.org/10.1007/BF03157144

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  • DOI: https://doi.org/10.1007/BF03157144

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