Related papers: Reconsidering Power Functional Theory
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…
Many physical and biological systems can be studied using complex network theory, a new statistical physics understanding of graph theory. The recent application of complex network theory to the study of functional brain networks generated…
Low accuracy of the Solvation Free Energy (SFE) calculation is a known problem of the numerical methods of the Integral Equation Theory of Liquids and the Classical Density Functional Theory (Classical DFT). Although functionals with…
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…
This short article contains the construction of a construction that generalizes the concept of the derivative of a function of one variable, using the theory of filters. The paper presents a new concept, demonstrates that it really…
A introduction into density-functional theory and electronic structure methods is given, that aims at providing an intuitive understanding of the underlying concepts for the novice as well as an entry point towards the more advanced…
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…
In this paper, we introduce a new classical fractional particle model incorporating fractional first derivatives. This model represents a natural extension of the standard classical particle with kinetic energy being quadratic in fractional…
The results presented in this paper are refinements of some results presented in a previous paper. Three such refined results are presented. The first one relaxes one of the basic hypotheses assumed in the previous paper, and thus extends…
We propose an integration of possibility theory into non-classical logics. We obtain many formal results that generalize the case where possibility and necessity functions are based on classical logic. We show how useful such an approach is…
In the framework of the Density Functional Theory for superconductors, we study the restoration of the particle number symmetry by means of the projection technique. Conceptual problems are outlined and numerical difficulties are discussed.…
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…
An abstract theory of Fourier series in locally convex topological vector spaces is developed. An analog of Fej\'{e}r's theorem is proved for these series. The theory is applied to distributional solutions of Cauchy-Riemann equations to…
Density-power-based divergences are known to provide robust inference procedures against outliers, and their extensions have been widely studied. A characteristic of successful divergences is that the estimation problem can be reduced to…
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…
We present some new results in theory of classical theta-functions of Jacobi and sigma-functions of Weierstrass: ordinary differential equations (dynamical systems) and series expansions. The paper is basically organized as a stream of new…
This is a brief reminder, with extensions, from a different angle and for a less specialized audience, of my presentation at WGMP32 in July 2013, to which I refer for more details on the topics hinted at in the title, mainly deformation…
We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate…
We study Density Functional Theory models for systems which are translationally invariant in some directions, such as a homogeneous 2-d slab in the 3-d space. We show how the different terms of the energy are modified and we derive reduced…
Recently, a new concept called multiplicative differential was introduced by Ellingsen et al. Inspired by this pioneering work, power functions with low c-differential uniformity were constructed. Wang et al. defined the c-differential…