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- W2892687384 abstract "In this comparative study we benchmark a recently developed nonadiabatic exchange-correlation potential within time-dependent density-functional theory (TDDFT) [Phys. Rev. Lett. 120, 157701 (2018)] by (a) validating the transient dynamics using a numerically exact density-matrix renormalization-group approach as well as by (b) comparing the $RC$ time, a typical linear-response quantity, to up to second-order perturbation theory results. As a test bed we use the dynamics of the single-impurity Anderson model. These benchmarks show that the nonadiabatic potential yields quantitatively accurate results for the transient dynamics for temperatures of the order of the hybridization strength, while the TDDFT $RC$ times quantitatively agree with those from second-order perturbation theory for temperatures which are large compared to the hybridization strength. Both results are particularly intriguing given the relatively low numerical cost of a TDDFT calculation." @default.
- W2892687384 created "2018-10-05" @default.
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- W2892687384 date "2019-02-13" @default.
- W2892687384 modified "2023-10-13" @default.
- W2892687384 title "Dynamics of the Anderson impurity model: Benchmarking a nonadiabatic exchange-correlation potential in time-dependent density-functional theory" @default.
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- W2892687384 doi "https://doi.org/10.1103/physrevb.99.075417" @default.
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