Time-Dependent Optimized Effective Potential
Phys. Rev. Lett., 74 (6):
872-- (February 1995)Abstract
Given an expression for the quantum mechanical action Aφjσ 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 Aφjσ
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)
Description
Time dependent density functional theory; Memory effects kernel; breakdown adiabatic approximation