相关论文: Reply to "Comment on 'Modifying the variational pr…

In a paper recently published in Phys. Rev. A [arXiv:1010.4223], Schirmer has criticized an earlier work of mine [arXiv:0803.2727], as well as the foundations of time-dependent density functional theory. In Ref.[2], I showed that the…

According to a recent paper by G. Vignale [Phys. Rev. A 77, 062511 (2008), arXiv:0803.2727], the problems arising in the original derivation of time-dependent density functional theory (TDDFT) based on the Runge-Gross (RG) action-integral…

The density-based action-integral functional introduced by Runge and Gross [Phys. Rev. Lett. 52, 997(1984)] in their foundation of time-dependent density-functional theory (TDDFT) is re-examined. Based on an obvious expansion of the…

Floquet formulation of time-dependent density-functional theory is revisited in light of its recent criticism [Maitra and Burke, Chem. Phys. Lett. 359 (2002), 237]. It is shown that Floquet theory is well founded and its criticism has…

The Runge-Gross [E. Runge, and E. K. U. Gross, Phys. Rev. Lett., 52, 997 (1984)] action functional of time-dependent density-functional theory leads to a well-known causality paradox, i.e., a perturbation of the electronic density in the…

A recent paper (Phys. Rev A. 75, 022513 (2007), arXiv:cond-mat/0602020) challenges exact time-dependent density functional theory (TDDFT) on several grounds. We explain why these criticisms are either irrelevant or incorrect, and that TDDFT…

I show that the so-called causality paradox of time-dependent density functional theory arises from an incorrect formulation of the variational principle for the time evolution of the density. The correct formulation not only resolves the…

We discuss the relationship between modern time-dependent density functional theory and earlier time-periodic versions, and why the criticisms in a recent paper (Chem. Phys. Lett. {\bf 433} (2006) 204) of our earlier analysis (Chem. Phys.…

The Comment by Holas et al. [A. Holas, M. Cinal, and N. H. March, Phys. Rev. A 78, 016501 (2008)] on our recent paper [J. Schirmer and A. Dreuw, Phys. Rev. A 75, 022513 (2007)]. is an appropriate and valuable contribution. As a small…

The response of an extended periodic system to a homogeneous field (of wave-vector $q=0$) cannot be obtained from a $q=0$ time-dependent density functional theory (TDDFT) calculation, because the Runge-Gross theorem does not apply.…

To construct an N-representable time-dependent density-functional theory, a generalization to the time domain of the Levy-Lieb (LL) constrained search algorithm is required. That the action is only stationary in the Dirac-Frenkel…

This comment criticizes the above paper by Xiao-Yin Pan and Viraht Sahni. It is shown that their formulation of "Physical Current Density Functional Theory" is, at best, a garbled reformulation of the Vignale-Rasolt current-density…

Spatial cusps in initial wavefunctions can lead to non-analytic behavior in time. We suggest a method for calculating the short-time behavior in such situations. For these cases, the density does not match its Taylor-expansion in time, but…

We present a variational formulation of Time-Dependent Density Functional Theory similar to the constrained-search variational formulation of ground-state density-function theory. The formulation is applied to justify the time-dependent…

In a recent paper (Abe S 2013 Phys. Rev. E 88 022142), a variational principle has been formulated for spatiotemporally-fractional Fokker-Planck equations and applied to derivations of their approximate analytic solutions based on the…

We clarify some misunderstandings on the time-dependent current density functional theory for open quantum systems we have recently introduced [M. Di Ventra and R. D'Agosta, Phys. Rev. Lett. {\bf 98}, 226403 (2007)]. We also show that some…

A variation principle for mass transport in solids is derived that recasts transport coefficients as minima of local thermodynamic average quantities. The result is independent of diffusion mechanism, and applies to amorphous and…

The general expectation that, in principle, time-dependent density functional theory (TDDFT) be an exact formulation of the time-evolution of an interacting N-electron system is critically reexamined. It is demonstrated that the previous…

In this paper we introduce a new functional invariant of discrete time dynamical systems -- the so-called t-entropy. The main result is that this t-entropy is the Legendre dual functional to the logarithm of the spectral radius of the…

Time-dependent density-functional theory (TDDFT) is deemed to be a formally rigorous way of dealing with the time-evolution of a many-electron system at the level of electron densities rather than the underlying wavefunctions, which in turn…