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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

Time-Dependent Density Functional Theory (TDDFT) has recently been extended to describe many-body open quantum systems (OQS) evolving under non-unitary dynamics according to a quantum master equation. In the master equation approach,…

Chemical Physics · Physics 2015-05-18 David G. Tempel , Mark A. Watson , Roberto Olivares-Amaya , Alán Aspuru-Guzik

We present a numerical modeling workflow based on machine learning (ML) which reproduces the the total energies produced by Kohn-Sham density functional theory (DFT) at finite electronic temperature to within chemical accuracy at negligible…

Relativistic energy density functionals (EDF) have become a standard tool for nuclear structure calculations, providing a complete and accurate, global description of nuclear ground states and collective excitations. Guided by the medium…

Nuclear Theory · Physics 2015-05-27 Tamara Niksic , Dario Vretenar , Peter Ring

This paper concerns the equilibrium bulk charge and current density correlation functions in quantum media, conductors and dielectrics, fully coupled to the radiation (the retarded regime). A sequence of static and time-dependent sum rules,…

Statistical Mechanics · Physics 2009-11-06 Ladislav Samaj

We present a QCD sum-rule determination of the heavy-quark kinetic energy inside a heavy meson, $-\lambda_1/2 m_Q$, which is consistent with the field-theory analog of the virial theorem. We obtain $-\lambda_1\approx (0.10\pm…

High Energy Physics - Phenomenology · Physics 2009-10-28 Matthias Neubert

Background: Extensions of single-reference (SR) energy-density-functionals (EDFs) to multi-reference (MR) applications involve using the generalized Wick theorem (GWT), which leads to singular energy kernels that cannot be properly…

Nuclear Theory · Physics 2014-12-09 Wojciech Satula , Jacek Dobaczewski

Borel transformed QCD sum rules conventionally use a real valued parameter (the Borel mass) for specifying the exponential weight over which hadronic spectral functions are averaged. In this paper, it is shown that the Borel mass can be…

High Energy Physics - Phenomenology · Physics 2014-07-09 Ken-Ji Araki , Keisuke Ohtani , Philipp Gubler , Makoto Oka

In a compressed Nuclear Matter (NM) an increasing pressure between the nucleons starts to increase the ratio of a nucleon Fermi to average single particle energy and in accordance with the Hugenholtz-van Hove theorem the longitudinal…

Nuclear Theory · Physics 2014-05-06 J. Rozynek

Background: Microscopic description of spontaneous fission is one of the most challenging subjects in nuclear physics. It is necessary to evaluate the collective potential and the collective inertia along a fission path for a description of…

Nuclear Theory · Physics 2021-01-20 Kouhei Washiyama , Nobuo Hinohara , Takashi Nakatsukasa

We discuss properties of the quadrupole collective excitation of the deformed neutron-rich nucleus $^{38}$Mg within the framework of quasi-particle random phase approximation (QRPA). We first solve the coupled-channels equations to obtain…

Nuclear Theory · Physics 2015-06-26 K. Hagino , Nguyen Van Giai , H. Sagawa

We introduce 'single-particle-exact density functional theory' (1pEx-DFT), a novel density functional approach that represents all single-particle contributions to the energy with exact functionals. Here, we parameterize interaction energy…

Solutions to the nuclear many-body problem rely on effective interactions, and in general effective operators, to take into account effects not included in calculations. These include effects due to the truncation to finite model spaces…

Nuclear Theory · Physics 2013-01-09 I. Stetcu , J. Rotureau

Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…

Statistical Mechanics · Physics 2018-11-21 Brett Larder , Dirk Gericke , Scott Richardson , Paul Mabey , Thomas White , Gianluca Gregori

The problem of the determination of the nuclear surface and surface symmetry energy is addressed in the framework of the Extended Thomas Fermi (ETF) approximation using Skyrme functionals. We propose an analytical model for the density…

Nuclear Theory · Physics 2016-03-23 F. Aymard , F. Gulminelli , J. Margueron

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 non energy-weighted Gamow-Teller(GT) sum rule is satisfied in relativistic models, when all nuclear density-dependent terms, including Pauli blocking terms from nucleon-antinucleon excitations, are taken into account in the RPA…

Nuclear Theory · Physics 2009-11-10 Haruki Kurasawa , Toshio Suzuki

Real-time time-dependent density functional theory (TDDFT) is widely considered to be the most accurate available method for calculating electronic stopping powers from first principles, but there have been relatively few assessments of the…

Computational Physics · Physics 2024-01-18 Alina Kononov , Alexander J. White , Katarina A. Nichols , S. X. Hu , Andrew D. Baczewski

The symmetry energy of nuclear matter is a fundamental ingredient in the investigation of exotic nuclei, heavy-ion collisions and astrophysical phenomena. New data from heavy-ion collisions can be used to extract the free symmetry energy…

We have formulated and implemented a fully charge-self-consistent density functional theory plus dynamical mean field theory methodology which enables an efficient calculation of the total energy of realistic correlated electron systems.…

Strongly Correlated Electrons · Physics 2015-06-22 Hyowon Park , Andrew J. Millis , Chris A. Marianetti