Charge and radial correlations in helium and helium-like atoms |
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Authors: | Toshikatsu Koga Shôji Aoki |
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Affiliation: | (1) Department of Applied Chemistry and Department of Applied Science for Energy, Muroran Institute of Technology, 050 Muroran, Hokkaido, Japan |
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Abstract: | Summary For two-electron atoms, the method of a variable exponent, which treats the orbital exponent (or effective nuclear charge) of an electron as an explicit function of the radial coordinate of the other electron, is studied. The method is shown to improve the energy and other electronic properties remarkably. An incorporation of the variable exponent into the Kellner approximation for He, for example, gives the energy –2.872 606 1 a.u., which is lower than the original Kellner energy by 0.024 949 8 a.u. and exceeds the Hartree-Fock limit energy by 0.010 926 1 a.u. The improvement due to the variable exponent originates from the inclusion of the charge and radial correlations. Applications of the method to the Eckart and Hylleraas approximations are also presented. |
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Keywords: | Variable exponent Electron correlation Helium and helium-like atoms |
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