Issue 22, 2009

Time-dependent current density functional theory via time-dependent deformation functional theory: a constrained search formulation in the time domain

Abstract

The logical structure and basic theorems of time-dependent current density functional theory (TDCDFT) are analyzed and reconsidered from the point of view of recently proposed time-dependent deformation functional theory (TDDefFT). It is shown that the formalism of TDDefFT allows to avoid a traditional external potential-to-density/current mapping. Instead the theory is formulated in a form similar to the constrained search procedure in the ground state DFT. Within this formulation of TDCDFT all basic functionals appear from the solution of a constrained universal many-body problem in a comoving reference frame, which is equivalent to finding a conditional extremum of a certain universal action functional. As a result the physical origin of the universal functionals entering the theory, as well as their proper causal structure become obvious. In particular, this leaves no room for any doubt concerning the predictive power of the theory.

Graphical abstract: Time-dependent current density functional theory via time-dependent deformation functional theory: a constrained search formulation in the time domain

Article information

Article type
Paper
Submitted
20 Feb 2009
Accepted
16 Mar 2009
First published
20 Apr 2009

Phys. Chem. Chem. Phys., 2009,11, 4621-4630

Time-dependent current density functional theory via time-dependent deformation functional theory: a constrained search formulation in the time domain

I. V. Tokatly, Phys. Chem. Chem. Phys., 2009, 11, 4621 DOI: 10.1039/B903666K

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