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- W2062362425 abstract "An analytic configuration interaction method based on variationally optimized internally orthogonalized modified Laguerre orbitals is presented. We have developed the corresponding computer code. For application, we study the 1s2s 1S isoelectronic sequence from helium to neon and compare with other methods. By taking into account the Eckart upper-bound theorem, we obtained more accurate and more intuitively understandable results than Hartree–Fock and multi-configuration Hartree–Fock reported results." @default.
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- W2062362425 date "2006-05-01" @default.
- W2062362425 modified "2023-09-23" @default.
- W2062362425 title "Analytic variationally optimized internally orthogonalized modified Laguerre orbitals in accurate atomic configuration interaction calculation" @default.
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- W2062362425 doi "https://doi.org/10.1088/1009-1963/15/5/021" @default.
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