Memory in Time-Dependent Density Functional Theory

Neepa T. Maitra, Kieron Burke, and Chris Woodward
Phys. Rev. Lett. 89, 023002 – Published 19 June 2002
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Abstract

Exact time-dependent density functionals remember both the entire history of the density and the initial wave function. We show that the two effects are intimately related, and all history dependence can be written as initial-state dependence, including that of the exchange-correlation kernel. For states that can be evolved from a ground state, all initial-state dependence is a dependence on a pseudo-prehistory, providing a route to excited-state densities from time-dependent density functional theory.

  • Received 26 July 2001

DOI:https://doi.org/10.1103/PhysRevLett.89.023002

©2002 American Physical Society

Authors & Affiliations

Neepa T. Maitra and Kieron Burke

  • Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, New Jersey 08854

Chris Woodward

  • Department of Mathematics, Rutgers University, 110 Frelinghuysen Road, Piscataway, New Jersey 08854

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Vol. 89, Iss. 2 — 8 July 2002

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