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- W2066703036 abstract "The widely held belief that Hartree-Fock orbitals ${ensuremath{phi}}_{1}$ behave asymptotically like $mathrm{exp}[ensuremath{-}{(ensuremath{-}2{ensuremath{epsilon}}_{i})}^{frac{1}{2}}mathcal{r}]$, where ${ensuremath{epsilon}}_{i}$ is the orbital energy of ${ensuremath{phi}}_{i}$, is shown to be incorrect, with one exception: atomic configurations consisting entirely of $s$ orbitals. The correct asymptotic form of ${ensuremath{phi}}_{i}$ is a sum of terms like $mathrm{exp}[ensuremath{-}{(ensuremath{-}2ifmmodetimeselsetexttimesfi{}{ensuremath{epsilon}}_{j})}^{frac{1}{2}}mathcal{r}]$, in which all ${ensuremath{epsilon}}_{j}$ appear. The former misconception apparently resulted from too superficial a treatment of the exchange potential at large $mathcal{r}$." @default.
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- W2066703036 date "1969-04-05" @default.
- W2066703036 modified "2023-10-18" @default.
- W2066703036 title "Long-Range Behavior of Hartree-Fock Orbitals" @default.
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- W2066703036 doi "https://doi.org/10.1103/physrev.180.45" @default.
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