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Phys. Rev. Lett. 74, 872–875 (1995)

Time-Dependent Optimized Effective Potential

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C. A. Ullrich, U. J. Gossmann, and E. K. U. Gross
Institut für Theoretische Physik, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany

Received 23 December 1993; published in the issue dated 6 February 1995

Given an expression for the quantum mechanical action A[φjσ] of an N-electron system as a functional of N time-dependent spin orbitals, we present a method of constructing the variationally best local time-dependent single-particle potentials vσ(rt) which, when inserted in time-dependent single-particle Schrödinger equations for the spin-up and spin-down electrons yield orbitals {φjσ(rt)} that make A[φjσ] stationary. We also propose a simplification of this scheme leading to a time-dependent generalization of the static optimized effective potentials recently introduced by Krieger, Li, and Iafrate Phys. Lett. A 146 256 (1990)

© 1995 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.74.872
DOI:
10.1103/PhysRevLett.74.872
PACS:
31.10.+z, 03.65.-w, 31.15.Ew