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

Given an expression for the quantum mechanical action Ajσ] 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 Ajσ] 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/abstract/PRL/v74/p872
DOI: 10.1103/PhysRevLett.74.872
PACS: 31.10.+z, 03.65.-w, 31.15.Ew

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