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- W2168049603 abstract "One-electron orbitals have been obtained by applying the variation principle to the two-configuration 1s22s2−1s22p2 approximation to 1S ground state of four-electron ions (Be through Ne+6). These orbitals and the total ion energies and charge densities, obtained with them, are compared with similar results for conventional Hartree-Fock (one-configuration) orbitals. The differences are appreciable. In addition, estimates of the four-electron correlation energies are presented. The current calculations are used in an effort to catalogue the relative importance of the various terms contributing to the correlation energies. A large contribution due to 1s22s2−1s22p2 mixing is observed. Its magnitude suggests a type of correlation correction unlike that found in the treatment of two-electron ions." @default.
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- W2168049603 date "1961-05-01" @default.
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- W2168049603 title "The two-configuration approximation for four-electron ions" @default.
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- W2168049603 doi "https://doi.org/10.1016/0003-4916(61)90081-1" @default.
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