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

AutorTokatly, I. V.
Fecha de publicación2009
EditorRoyal Society of Chemistry (Great Britain)
CitaciónPhysical Chemistry Chemical Physics 11(22): 4621-4630 (2009)
ResumenThe 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.
DescripciónEl pdf del artículo es la versión pre-print: arXiv:0902.3562
Versión del editorhttp://dx.doi.org/10.1039/B903666K
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