Demonstration of initial-state dependence in time-dependent density-functional theory

Neepa T. Maitra and Kieron Burke
Phys. Rev. A 63, 042501 – Published 5 March 2001; Erratum Phys. Rev. A 64, 039901 (2001)
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Abstract

Time-dependent density functionals depend in principle on the initial state of a system, but this is ignored in functional approximations presently in use. For one electron, it is shown that there is no initial-state dependence: for any density, only one initial state produces a well-behaved potential. For two noninteracting electrons with the same spin in one dimension, an initial potential that makes an alternative initial wave function evolve with the same density and current as a ground state is calculated. This potential is well-behaved, and can be made arbitrarily different from the original potential.

  • Received 7 September 2000

DOI:https://doi.org/10.1103/PhysRevA.63.042501

©2001 American Physical Society

Erratum

Authors & Affiliations

Neepa T. Maitra and Kieron Burke

  • Departments of Chemistry and Physics, Rutgers University, Piscataway, New Jersey 08854

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Issue

Vol. 63, Iss. 4 — April 2001

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