Time-Dependent Optimized Effective Potential

C. A. Ullrich, U. J. Gossmann, and E. K. U. Gross
Phys. Rev. Lett. 74, 872 – Published 6 February 1995
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Abstract

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)]

  • Received 23 December 1993

DOI:https://doi.org/10.1103/PhysRevLett.74.872

©1995 American Physical Society

Authors & Affiliations

C. A. Ullrich, U. J. Gossmann, and E. K. U. Gross

  • Institut für Theoretische Physik, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany

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Vol. 74, Iss. 6 — 6 February 1995

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