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The cornerstone of time-dependent (TD) density functional theory (DFT), the Runge-Gross theorem, proves a one-to-one correspondence between TD potentials and TD densities of continuum Hamiltonians. In all practical implementations, however,…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 S. Kurth , G. Stefanucci

We establish existence and uniqueness of the solution to the Dyson equation for the density-density response function in time-dependent density functional theory (TDDFT) in the random phase approximation (RPA). We show that the poles of the…

Mathematical Physics · Physics 2025-02-04 Thiago Carvalho Corso , Mi-Song Dupuy , Gero Friesecke

This work is devoted to the study of the initial boundary value problem for a general non isothermal model of capillary fluids derived by J.E Dunn and J.Serrin (1985), which can be used as a phase transition model. We distinguish two cases,…

Analysis of PDEs · Mathematics 2008-03-14 Boris Haspot

In a recent Comment (arXiv:0710.0018), Maitra, Burke, and van Leeuwen (MBL) attempt to refute our criticism of the foundations of TDDFT (see Phys. Rev. A 75, 022513 (2007)). However, their arguments miss the essence of our position. This is…

Other Condensed Matter · Physics 2008-11-26 J. Schirmer , A. Dreuw

This work considers the {\em gravitational} $N$-body problem and introduces global time-renormalization {\em functions} that allow the efficient numerical integration with fixed time-steps. First, a lower bound of the radius of convergence…

Dynamical Systems · Mathematics 2020-05-22 M. Antoñana , P. Chartier , J. Makazaga , A. Murua

Rigorous mathematical foundations of density functional theory are revisited, with some use of infinitesimal (nonstandard) methods. A thorough treatment is given of basic properties of internal energy and ground-state energy functionals…

Other Condensed Matter · Physics 2016-06-30 Paul E. Lammert

The density functional theory is extended to account for self-bound systems. To this end the Hohenberg-Kohn theorem is formulated for the intrinsic density and a Kohn-Sham like procedure for an $N$--body system is derived using the…

Nuclear Theory · Physics 2008-11-26 Nir Barnea

We employ the density matrix renormalization group to construct the exact time-dependent exchange correlation potential for an impurity model with an applied transport voltage. Even for short-ranged interaction we find an infinitely…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 Peter Schmitteckert , Michael Dzierzawa , Peter Schwab

Uniform semiclassical approximations for the number and kinetic-energy densities are derived for many non-interacting fermions in one-dimensional potentials with two turning points. The resulting simple, closed-form expressions contain the…

Quantum Physics · Physics 2015-02-26 Raphael F. Ribeiro , Donghyung Lee , Attila Cangi , Peter Elliott , Kieron Burke

It has long been postulated that within density-functional theory (DFT) the total energy of a finite electronic system is convex with respect to electron count, so that 2 E_v[N_0] <= E_v[N_0 - 1] + E_v[N_0 + 1]. Using the…

Chemical Physics · Physics 2023-12-25 Andrew C. Burgess , Edward Linscott , David D. O'Regan

A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402…

Materials Science · Physics 2009-11-10 M. Dion , H. Rydberg , E. Schroder , D. C. Langreth , B. I. Lundqvist

We investigate a density-functional theory (DFT) approach for an unpolarized trapped dilute Fermi gas in the unitary limit . A reformulation of the recent work of T. Papenbrock [Phys. Rev. A, {\bf 72}, 041602(R) (2005)] in the language of…

Other Condensed Matter · Physics 2009-11-11 Brandon P. van Zyl , D. A. W. Hutchinson , Melodie Need

We comment on a recent paper by Yuen-Zhou et al. [ Phys. Chem. Chem. Phys. 2009, 11, 4509 ] which extends some of the results of Time-Dependent Current Density Functional Theory applied to open quantum systems. Besides pointing out some…

Mesoscale and Nanoscale Physics · Physics 2009-11-23 Roberto D'Agosta , Massimiliano Di Ventra

A new solution to the mono-dimensional diffusion equation for time-variable first kind boundary condition is presented where the time-variable function at the surface is derived proposing a surface saturation model. This solution may be…

Materials Science · Physics 2022-12-08 Guglielmo Macrelli

The principles of density-functional theory are studied for finite lattice systems represented by graphs. Surprisingly, the fundamental Hohenberg-Kohn theorem is found void in general, while many insights into the topological structure of…

Quantum Physics · Physics 2022-01-13 Markus Penz , Robert van Leeuwen

The dominated convergence theorem implies that if (f_n) is a sequence of functions on a probability space taking values in the interval [0,1], and (f_n) converges pointwise a.e., then the sequence of integrals converges to the integral of…

Functional Analysis · Mathematics 2014-01-03 Jeremy Avigad , Edward Dean , Jason Rute

We consider the Dirichlet problem for a compressible two-fluid model in three dimensions, and obtain the global existence of weak solution with large initial data and independent adiabatic constants \Gamma,\gamma>=9/5. The pressure…

Analysis of PDEs · Mathematics 2021-07-27 Huanyao Wen

A continuous approximation for the results of [1] is obtained. In this approximation the energy distribution is represented in the form of the product of the Gibbs factor and superstatistics factor. The mutual weights of the factors are…

Chemical Physics · Physics 2007-05-23 V. V. Ryazanov

This paper is concerned with an age-structured model in population dynamics. We investigate the uniqueness of solution for this type of nonlinear reaction-diffusion problem when the source term depends on the density, indicating the…

Analysis of PDEs · Mathematics 2018-06-12 Vo Anh Khoa , Tran The Hung , Daniel Lesnic

This paper demonstrates a duality between the non-robustness of polynomial time dimension and the existence of one-way functions. Polynomial-time dimension (denoted $\mathrm{cdim}_\mathrm{P}$) quantifies the density of information of…

Computational Complexity · Computer Science 2025-02-11 Satyadev Nandakumar , Subin Pulari , Akhil S , Suronjona Sarma
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