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A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…

Nuclear Theory · Physics 2021-04-28 Giacomo Accorto , Tomoya Naito , Haozhao Liang , Tamara Niksic , Dario Vretenar

Basic issues of the time-dependent density-functional theory are discussed, especially on the real-time calculation of the linear response functions. Some remarks on the derivation of the time-dependent Kohn-Sham equations and on the…

Nuclear Theory · Physics 2017-01-06 Takashi Nakatsukasa

In this paper we discuss a possible cosmological time evolution of fundamental constants from the theoretical and experimental point of views. On the theoretical side, we explain that such a cosmological time evolution is actually something…

General Relativity and Quantum Cosmology · Physics 2015-06-25 Xavier Calmet , Matthias Keller

Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…

Materials Science · Physics 2009-11-11 Simone Paziani , Saverio Moroni , Paola Gori-Giorgi , Giovanni B. Bachelet

We discuss energy densities in the strong-interaction limit of density functional theory, deriving an exact expression within the definition (gauge) of the electrostatic potential of the exchange-correlation hole. Exact results for small…

Chemical Physics · Physics 2012-11-14 André Mirtschink , Michael Seidl , Paola Gori-Giorgi

We study consequences of gauge invariance and charge conservation of an electron gas in a strong random potential perturbed by a weak electromagnetic field. We use quantum equations of motion and Ward identities for one- and two-particle…

Disordered Systems and Neural Networks · Physics 2008-09-16 V. Janis , J. Kolorenc , V. Spicka

We present extensive results from 2-dimensional simulations of phase separation kinetics in a model with order-parameter dependent mobility. We find that the time-dependent structure factor exhibits dynamical scaling and the scaling…

Condensed Matter · Physics 2009-10-30 Sanjay Puri , Alan Bray , Joel Lebowitz

We propose a unified scaling theory of entanglement entropy in the confinements of finite bond dimensions, dynamics and system sizes. Within the theory, the finite-entanglement scaling introduced recently is generalized to the dynamics…

Statistical Mechanics · Physics 2018-12-26 Xuanmin Cao , Qijun Hu , Fan Zhong

We develop a scheme for building the scalar exchange-correlation (xc) kernel of time-dependent density functional theory (TDDFT) from the tensorial kernel of time-dependent {\em current} density functional theory (TDCDFT) and the Kohn-Sham…

Materials Science · Physics 2009-11-13 V. U. Nazarov , J. M. Pitarke , Y. Takada , G. Vignale , Y. -C. Chang

An exchange-correlation energy functional $ E_{\mathrm xc} $ and the resultant exchange-correlation potential $ v_{\mathrm xc}({\bf r}) $ in density-functional theory are proposed using orbital-dependent coupling-constant-averaged pair…

Strongly Correlated Electrons · Physics 2007-05-23 Hiroshi Yasuhara , Masahiko Higuchi , Yoshiyuki Kawazoe

Ensemble density functional theory (EDFT) is a promising alternative to time-dependent density functional theory for computing electronic excitation energies. Using coordinate scaling, we prove several fundamental exact conditions in EDFT…

Strongly Correlated Electrons · Physics 2023-07-04 Thais R. Scott , John Kozlowski , Steven Crisostomo , Aurora Pribram-Jones , Kieron Burke

It is shown that the equation of motion of the one-particle Green function of an interacting many-electron system is governed by a multiplicative time-dependent exchange-correlation potential, which is the Coulomb potential of a…

Strongly Correlated Electrons · Physics 2022-02-16 Ferdi Aryasetiawan

We study a model quantum dot system in an external magnetic field by using both the spin-density-functional theory and the current-spin-density-functional theory. The theories are used with local approximations for the spin-density and the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 H. Saarikoski , E. Räsänen , S. Siljamäki , A. Harju , M. J. Puska , R. M. Nieminen

A decomposition of the exact exchange-correlation potential of time-dependent density functional theory into an interaction component and a kinetic component offers a new starting point for non- adiabatic approximations. The components are…

Chemical Physics · Physics 2018-11-14 Johanna I. Fuks , Lionel Lacombe , Soeren E. B. Nielsen , Neepa T. Maitra

A real-space representation of the current response of many-electron systems with possible applications to x-ray nonlinear spectroscopy and magnetic susceptibilities is developed. Closed expressions for the linear, quadratic and third-order…

Strongly Correlated Electrons · Physics 2009-11-10 Oleg Berman , Shaul Mukamel

We present a detailed study of the exact-exchange (EXX) kernel of time-dependent density functional theory with an emphasis on its discontinuity at integer particle numbers. It was recently found that this exact property leads to sharp…

Chemical Physics · Physics 2015-06-17 M. Hellgren , E. K. U. Gross

We study the consequences of time variations in the scale of grand unification, $M_U$, when the Planck scale and the value of the unified coupling at the Planck scale are held fixed. We show that the relation between the variations of the…

High Energy Physics - Phenomenology · Physics 2009-11-07 Michael Dine , Yosef Nir , Guy Raz , Tomer Volansky

The asymmetric Hubbard dimer is used to study the density-dependence of the exact frequency-dependent kernel of linear-response time-dependent density functional theory. The exact form of the kernel is given, and the limitations of the…

Strongly Correlated Electrons · Physics 2018-07-17 D. J. Carrascal , J. Ferrer , N. Maitra , K. Burke

We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair…

Chemical Physics · Physics 2021-05-26 Julien Paquier , Julien Toulouse

In the presence of a (time-dependent) macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic…

Materials Science · Physics 2016-07-27 M. Grüning , D. Sangalli , C. Attaccalite