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- W2042227257 abstract "The exact time-dependent correlation energy in time-dependent density-functional theory is shown to sometimes become positive, which is impossible with most present TDDFT approximations. Both the correlation potential and energy can be strongly nonlocal in time. A new inequality is derived for the time-dependent exchange-correlation energy. The correlation energy appears to scale to a constant function of scaled time in the high-density limit. In the linear response regime, the correlation energy is shown to become purely adiabatic, but the correlation potential is generally nonadiabatic. The usefulness of the virial theorem as a test of numerical accuracy is demonstrated. All results are found or inspired by exact numerical solution of a simple model system (Hooke’s atom), and inversion of the corresponding Kohn–Sham equations." @default.
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- W2042227257 date "2002-06-17" @default.
- W2042227257 modified "2023-10-16" @default.
- W2042227257 title "Correlation in time-dependent density-functional theory" @default.
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- W2042227257 doi "https://doi.org/10.1063/1.1479349" @default.
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