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We show that the time dependent single electron, nuclear density matrix of an interacting electronic system coupled to nuclear degrees of freedom can be exactly reproduced by that of an electronic system with arbitrarily specified…

Materials Science · Physics 2009-02-07 Vinod Krishna

We study non-linear adiabatic connection paths in density-functional theory using modified electron-electron interactions that perform a long-range/short-range separation of the Coulomb interaction. These adiabatic connections allows to…

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

An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…

Atomic Physics · Physics 2019-04-30 Sambhu N. Datta

The Coulomb exchange and correlation energy density functionals for electron systems are applied to nuclear systems. It is found that the exchange functionals in the generalized gradient approximation provide agreements with the exact-Fock…

Nuclear Theory · Physics 2019-12-09 Tomoya Naito , Ryosuke Akashi , Gianluca Colò , Haozhao Liang , Xavier Roca-Maza

We obtain the conductance of a system of electrons connected to leads, within time-dependent density-functional theory, using a direct relation between the conductance and the density response function. Corrections to the non-interacting…

Materials Science · Physics 2007-10-04 P. Bokes , J. Jung , R. W. Godby

We introduce a data-based approach to estimating key quantities which arise in the study of nonlinear control systems and random nonlinear dynamical systems. Our approach hinges on the observation that much of the existing linear theory may…

Optimization and Control · Mathematics 2016-04-04 Jake Bouvrie , Boumediene Hamzi

We lay out the extension of range-separated density-functional theory to a four-component relativistic frame-work using a Dirac-Coulomb-Breit Hamiltonian in the no-pair approximation. This formalism combines a wave-function method for the…

Chemical Physics · Physics 2018-12-12 Julien Paquier , Julien Toulouse

We present a simple geometrical "fluidic" approximation to the non-adiabatic part of the Kohn-Sham potential, $v_{\mathrm{KS}}$, of time-dependent density functional theory. This part of $v_{\mathrm{KS}}$ is often crucial, but most…

Chemical Physics · Physics 2020-03-25 Mike Entwistle , Rex Godby

Renormalization group methods are used to study the low-energy behavior of the unscreened Coulomb interaction in a one-dimensional electron system. By applying a GW approximation, a strong wavefunction renormalization is found in the model,…

Strongly Correlated Electrons · Physics 2007-05-23 S. Bellucci , J. Gonzalez

The equation of state of the electron degenerate gas in a white dwarf is usually treated by employing the ideal dispersion relation. However, the effect of quantum gravity is expected to be inevitably present and when this effect is…

General Relativity and Quantum Cosmology · Physics 2019-01-08 Arun Mathew , Malay Kumar Nandy

We use a macroscopic description of a system of relativistic particles based on adding a nonequilibrium tensor to the usual hydrodynamic variables. The nonequilibrium tensor is linked to relativistic kinetic theory through a nonlinear…

Nuclear Theory · Physics 2015-06-12 J. Peralta-Ramos , E. Calzetta

The Breit correction, the finite-light-speed correction for the Coulomb interaction of the electron-electron interaction in $ O \left( 1/ c^2 \right) $, is introduced to density functional theory (DFT) based on the non-relativistic…

Computational Physics · Physics 2020-10-20 Tomoya Naito , Ryosuke Akashi , Haozhao Liang , Shinji Tsuneyuki

We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…

Materials Science · Physics 2009-11-11 Paola Gori-Giorgi , Andreas Savin

We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state…

Materials Science · Physics 2015-06-25 Maziar Nekovee , W. M. C. Foulkes , A. J. Williamson , G. Rajagopal , R. J. Needs

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

We consider scalar field models of dark energy interacting with dark matter through a coupling proportional to the contraction of the four-derivative of the scalar field with the four-velocity of the dark matter fluid. The coupling is…

General Relativity and Quantum Cosmology · Physics 2018-02-07 Jibitesh Dutta , Wompherdeiki Khyllep , Nicola Tamanini

The quantum dynamics of correlated fermionic or bosonic many-body systems following external excitation can be successfully studied using nonequilibrium Green functions (NEGF) or reduced density matrix methods. Approximations are introduced…

Strongly Correlated Electrons · Physics 2023-12-27 Erik Schroedter , Björn Jakob Wurst , Jan-Philip Joost , Michael Bonitz

Fully relativistic approach to evaluate the correlation effects in highly charged ions is presented. The interelectronic-interaction contributions of first and second orders in $1/Z$ are treated rigorously within the framework of…

Atomic Physics · Physics 2019-12-18 Y. S. Kozhedub , A. V. Malyshev , D. A. Glazov , V. M. Shabaev , I. I. Tupitsyn

The system of N scalar particles with Grassmann-valued color charges plus the color SU(3) Yang-Mills field is reformulated on spacelike hypersurfaces. The Dirac observables are found and the physical invariant mass of the system in the…

High Energy Physics - Theory · Physics 2014-11-18 David Alba , Luca Lusanna

Time dependent quantum systems are the subject of intense inquiry, in mathematics, science, and engineering, particularly at the atomic and molecular levels. In 1984, Runge and Gross introduced time dependent density functional theory…

Analysis of PDEs · Mathematics 2021-02-24 Joseph W. Jerome