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The nuclear electric quadrupole moment (NQM) of $^{87}$Sr has recently been revisited using high-precision relativistic atomic calculations [B. Lu et al., Phys. Rev. A 100, 012504 (2019)], indicating that the currently accepted value should…

Chemical Physics · Physics 2026-02-03 Gabriele Fabbro , Jan Brandejs , Trond Saue

Effective field theory (EFT) methods for a uniform system of fermions with short-range, natural interactions are extended to include pairing correlations, as part of a program to develop a systematic Kohn-Sham density functional theory…

Nuclear Theory · Physics 2008-11-26 R. J. Furnstahl , H. -W. Hammer , S. J. Puglia

The basis-set correction method based on density-functional theory consists in correcting the energy calculated by a wave-function method with a given basis set by a density functional. This basis-set correction density functional…

Chemical Physics · Physics 2023-07-05 Diata Traore , Emmanuel Giner , Julien Toulouse

Knowing the rate at which particle radiation releases energy in a material, the stopping power, is key to designing nuclear reactors, medical treatments, semiconductor and quantum materials, and many other technologies. While the nuclear…

Materials Science · Physics 2024-09-13 Logan Ward , Ben Blaiszik , Cheng-Wei Lee , Troy Martin , Ian Foster , André Schleife

We propose a new method of calculating electronically excited states that combines a density functional theory (DFT) based ground state calculation with a linear response treatment that employs approximations used in the time-dependent…

Chemical Physics · Physics 2016-05-11 Robert Rüger , Erik van Lenthe , Thomas Heine , Lucas Visscher

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For…

Nuclear Theory · Physics 2025-09-30 Brendan T. Reed , Matthias Heinz , Pierre Arthuis , Achim Schwenk , Ingo Tews

We derive sum rules for the phonon self-energy and the electron-phonon contribution to the electron self-energy of the Holstein-Hubbard model in the limit of large Coulomb interaction U. Their relevance for finite U is investigated using…

Strongly Correlated Electrons · Physics 2007-05-23 O. Rösch , G. Sangiovanni , O. Gunnarsson

Linear-response quantum electrodynamical density functional theory (QEDFT) enables the description of molecular spectra under strong coupling to quantized photonic modes, such as those in optical cavities. Recently, this approach was…

Chemical Physics · Physics 2025-07-11 Lukas Konecny , Valeriia P. Kosheleva , Michael Ruggenthaler , Michal Repisky , Angel Rubio

We derive a time-dependent density functional theory appropriate for calculating the near-edge X-ray absorption spectrum in molecules and condensed matter. The basic assumption is to increase the space of many-body wave functions from one…

Strongly Correlated Electrons · Physics 2015-06-16 G. F. Bertsch , A. Lee

We explore the ability of the recently established quasilocal density functional theory for describing the isoscalar giant monopole resonance. Within this theory we use the scaling approach and perform constrained calculations for obtaining…

Nuclear Theory · Physics 2009-11-10 V. B. Soubbotin , V. I. Tselyaev , X. Vinas

We present a quantum algorithm to obtain the response of the atomic nucleus to a small external electromagnetic perturbation. The Hamiltonian of the system is presented by a harmonic oscillator, and the linear combination of unitaries (LCU)…

Quantum Physics · Physics 2022-10-18 Abhishek , Nifeeya Singh , Pooja Siwach , P. Arumugam

A Kohn-Sham density-functional energy expression is derived for any (ground or excited) state within a given many-electron ensemble along with the stationarity condition it fulfills with respect to the ensemble density, thus giving access…

Chemical Physics · Physics 2025-01-22 Emmanuel Fromager

The compatibility of the QCD sum rules and effective hadronic models predictions are examined. For this purpose we have considered the results for the nucleon self-energy in a dense hadronic environment provided by two independent QCD…

Nuclear Theory · Physics 2009-11-10 R. Aguirre

By introducing a set of auxiliary equations representing a many-body system, we have derived an extension of the Kohn-Sham scheme for the density functional theory. These equations consist of a Kohn-Sham-type equation determining…

Materials Science · Physics 2009-11-07 Koichi Kusakabe

Nuclear matter is studied within the Density Functional Theory (DFT) framework. Our method employs a finite number of nucleons in a box subject to periodic boundary conditions, in order to simulate infinite matter and study its response to…

Nuclear Theory · Physics 2023-04-26 Francesco Marino , Gianluca Colò , Xavier Roca-Maza , Enrico Vigezzi

Energy density functional (EDF) theory provides a unified framework for the description of nuclei and of infinite nuclear matter. In principle, it facilitates direct connections between nuclear data and the nuclear equation of state (EoS).…

Nuclear Theory · Physics 2025-12-01 Panagiota Papakonstantinou

Background: Time-dependent techniques in nuclear theory often rely on mean-field or Hartree-Fock descriptions. Beyond mean-field dynamical calculations within the time-dependent density matrix (TDDM) theory have often invoked symmetry…

Nuclear Theory · Physics 2021-06-09 M. C. Barton , P. D. Stevenson , A. Rios

The development of variational density functional theory approaches to excited electronic states is impeded by limitations of the commonly used self-consistent field (SCF) procedure. A method based on a direct optimization approach as well…

Chemical Physics · Physics 2022-11-09 Gianluca Levi , Aleksei V. Ivanov , Hannes Jónsson

In this paper, we apply the recently developed ab initio renormalized excitonic method (REM) to the excitation energy calculations of various molecular aggregates, through the extension of REM to the time-dependent density functional theory…

Chemical Physics · Physics 2013-05-07 Yingjin Ma , Haibo Ma

We consider an ionic fluid made with two species of mobile particles carrying either a positive or a negative charge. We derive a sum rule for the fourth moment of equilibrium charge correlations. Our method relies on the study of the…

Statistical Mechanics · Physics 2016-11-30 Angel Alastuey , Riccardo Fantoni