Literature DB >> 19475183

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

I V Tokatly1.   

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.

Year:  2009        PMID: 19475183     DOI: 10.1039/b903666k

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  1 in total

1.  Superadiabatic Forces via the Acceleration Gradient in Quantum Many-Body Dynamics.

Authors:  Moritz Brütting; Thomas Trepl; Daniel de Las Heras; Matthias Schmidt
Journal:  Molecules       Date:  2019-10-11       Impact factor: 4.411

  1 in total

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