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<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

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M. Newville · Journal of Synchrotron Radiation · 2001 · 3K citations · Full text

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Relativistic Calculation of Anomalous Scattering Factors for X Rays

D. T. Cromer, David A. Liberman · The Journal of Chemical Physics · 1970 · 3K citations

Natural Sciences, Chemistry, Physics +9