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- W2288478638 abstract "Besides molecular electron densities obtained within the Born–Oppenheimer approximation (<italic>ρ</italic><sub>B</sub>(<bold>r</bold>)) to represent the environment, the ensemble averaged density (〈<italic>ρ</italic><sub>B</sub>〉(<bold>r</bold>)) is also admissible in frozen-density embedding theory (FDET) [Wesolowski, <italic>Phys. Rev. A</italic>, 2008, <bold>77</bold>, 11444]." @default.
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- W2288478638 date "2016-01-01" @default.
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- W2288478638 title "Frozen-density embedding theory with average solvent charge densities from explicit atomistic simulations" @default.
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