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- W2063066444 abstract "Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. Variational methods can yield highly accurate energies, but may be less accurate for other operators of interest. A pseudospectral method yields very accurate expectations values for the two-electron ion with nuclear charge at and close to the critical value which yields zero ionization energy. As an illustration, the ground-state density is calculated and an extremely accurate parametrization is given. Other components in Kohn-Sham density functional theory are also calculated, and the efficacy of approximations is discussed." @default.
- W2063066444 created "2016-06-24" @default.
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- W2063066444 date "2015-03-03" @default.
- W2063066444 modified "2023-09-23" @default.
- W2063066444 title "Quantum critical benchmark for electronic structure theory" @default.
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- W2063066444 doi "https://doi.org/10.1103/physreva.91.032501" @default.
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