Exchange and correlation in finite-temperature TDDFT |
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Authors: | John J Rehr Joshua J Kas |
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Institution: | 1.Dept. of Physics, BOX 351560, Univ. of Washington,Seattle,USA |
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Abstract: | We discuss the finite-temperature generalization of time-dependent density functional theory (TDDFT). The theory is directly analogous to that at temperature T = 0. For example, the finite-T TDDFT exchange-correlation kernel fxc(T, n) in the local density approximation can again be expressed as a density derivative of the exchange correlation potential fxc(T, n) = ?vxc(T, n)∕?n]δ(r ? r′), where n = N∕V is the electron number density. An approximation for the kernel fxc(T, n) is obtained from the finite-T generalization of the retarded cumulant expansion applied to the homogeneous electron gas. Results for fxc and the loss function are presented for a wide range of temperatures and densities including the warm dense matter regime, where T ≈ TF, the electron degeneracy temperature. The theory also permits a physical interpretation of the exchange and correlation contributions to the theory. |
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