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By splitting the Coulomb interaction into long-range and short-range components, we decompose the energy of a quantum electronic system into long-range and short-range contributions. We show that the long-range part of the energy can be…

Chemical Physics · Physics 2009-11-10 Julien Toulouse , Francois Colonna , Andreas Savin

A double hybrid approximation using the Coulomb-attenuating method (CAM-DH) is derived within range-separated density-functional perturbation theory, in the spirit of a recent work by Cornaton {\it et al.} [Phys. Rev. A 88, 022516 (2013)].…

Chemical Physics · Physics 2014-04-21 Yann Cornaton , Emmanuel Fromager

Nanostructures with open shell transition metal or molecular constituents host often strong electronic correlations and are highly sensitive to atomistic material details. This tutorial review discusses method developments and applications…

Strongly Correlated Electrons · Physics 2017-07-27 M. Schüler , S. Barthel , T. Wehling , M. Karolak , A. Valli , G. Sangiovanni

A quantum kinetic theory for correlated charged-particle systems in strong time-dependent electromagnetic fields is developed. Our approach is based on a systematic gauge-invariant nonequilibrium Green's functions formulation. We…

Strongly Correlated Electrons · Physics 2017-08-23 M. Bonitz , Th Bornath , D. Kremp , H. Haberland , M. Schlanges , P. Hilse

In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a…

Chemical Physics · Physics 2015-06-24 Elisa Rebolini , Julien Toulouse , Andrew M. Teale , Trygve Helgaker , Andreas Savin

A relativistic density-functional theory based on a Fock-space effective quantum-electrodynamics (QED) Hamiltonian using the Coulomb or Coulomb-Breit two-particle interaction is developed. This effective QED theory properly includes the…

Chemical Physics · Physics 2021-05-03 Julien Toulouse

The Thomas-Fermi (TF) approximation for the static dielectric constant of a three-dimensional electron liquid can be derived from minimizing the TF local-density approximation for the kinetic-energy functional. Here we show that this…

Materials Science · Physics 2009-11-11 A. P. Favaro , Joao Vitor Batista Ferreira , K. Capelle

In this work we study global well-posedness and large time behaviour for a typical reaction--diffusion system, which include degenerate diffusion, and whose non-linearities arise from chemical reactions. We show that there is an {\it…

Analysis of PDEs · Mathematics 2020-04-27 Amit Einav , Jeff Morgan , Bao Quoc Tang

The ground-state properties of superfluid nuclear systems with ^1S_0 pairing are studied within a local energy-density functional (LEDF) approach. A new form of the LEDF is proposed with a volume part which fits the Friedman- Pandharipande…

Nuclear Theory · Physics 2011-04-15 S. A. Fayans , D. Zawischa

We present a concise account of our development of the first genuine Local Density Approximation (LDA) to the Energy Density Functional (EDF) for fermionic systems with superfluid correlations, with a particular emphasis to nuclear systems.

Nuclear Theory · Physics 2009-11-10 Aurel Bulgac , Yongle Yu

We consider the electrons of a molecule in the adiabatic time-dependent density functional theory approximation. We establish the well-posedness of the time evolution and its linear response close to a non-degenerate ground state, and prove…

Analysis of PDEs · Mathematics 2024-09-19 Mi-Song Dupuy , Eloïse Letournel , Antoine Levitt

We study the evolution of $k=-1$ FLRW cosmological models for two interacting Dark Matter-Dark Energy Models using dynamical system analysis. Since we are interested in late time evolution, the sign of the interaction term is chosen such…

General Relativity and Quantum Cosmology · Physics 2024-11-26 Ashmita , Kinjal Banerjee , Prasanta Kumar Das

We present a Keldysh nonlinear sigma-model approach to the renormalization group analysis of the disordered electron liquid. We include both the Coulomb interaction and Fermi-liquid type interactions in the singlet and triplet channels into…

Mesoscale and Nanoscale Physics · Physics 2014-11-20 G. Schwiete , A. M. Finkel'stein

We apply the dynamical systems tools to study the (linear) dynamics of Friedmann-Robertson-Walker universes that are fuelled by non-linear electrodynamics. We focus, mainly, in two particular models. In the first model the cosmic evolution…

General Relativity and Quantum Cosmology · Physics 2009-05-08 Ricardo Garcia-Salcedo , Tame Gonzalez , Claudia Moreno , Israel Quiros

We show an $\textit{ab initio}$ construction of the energy density functional (EDF) for electron systems using the functional renormalization group. The correlation energies of the homogeneous electron gas given in our framework reproduce…

Strongly Correlated Electrons · Physics 2021-08-03 Takeru Yokota , Tomoya Naito

Relativistic energy density functionals have become a standard framework for nuclear structure studies of ground-state properties and collective excitations over the entire nuclide chart. We review recent developments in modeling nuclear…

Nuclear Theory · Physics 2015-10-28 N. Paar , T. Marketin , D. Vale , D. Vretenar

In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…

Chemical Physics · Physics 2021-10-05 Simone Taioli , Stefano Simonucci

In previous papers we have shown how Schr\"{o}dinger's equation which includes an electromagnetic field interaction can be deduced from a fluid dynamical Lagrangian of a charged potential flow that interacts with an electromagnetic field.…

Quantum Physics · Physics 2024-11-26 Asher Yahalom

In the complete system of equations of evolution of the classical system of charges and the electromagnetic field generated by them, the field variables are excluded. An exact closed relativistic non-Hamiltonian system of nonlocal kinetic…

Statistical Mechanics · Physics 2020-05-19 A. Yu. Zakharov

The present contribution reports the first systematic finite-nucleus calculations performed using the Energy Density Functional method and a non-empirical pairing functional derived from low-momentum interactions. As a first step, the…

Nuclear Theory · Physics 2008-11-26 T. Duguet , T. Lesinski