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Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…

Computational Physics · Physics 2016-08-02 Jeffrey M. McMahon

The density dependent relativistic hadron field (DDRH) theory is applied to strongly asymmetric nuclear matter and finite nuclei far off stability. A new set of in-medium meson-nucleon vertices is derived from Dirac-Brueckner Hartree-Fock…

Nuclear Theory · Physics 2009-11-06 F. Hofmann , C. M. Keil , H. Lenske

We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…

Chemical Physics · Physics 2025-11-14 Chen Li , Ryan Requist , E. K. U. Gross

A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depends on the one-particle density matrix of noninteracting states and on the external potential from the interacting target-state. The…

Chemical Physics · Physics 2007-05-23 James P. Finley

According to density functional theory, any chemical property can be inferred from the electron density, making it the most informative attribute of an atomic structure. In this work, we demonstrate the use of established physical methods…

Materials Science · Physics 2023-09-12 Ethan M. Sunshine , Muhammed Shuaibi , Zachary W. Ulissi , John R. Kitchin

Using the Runge-Gross theorem that establishes the foundation of Time-dependent Density Functional Theory (TDDFT) we prove that for a given electronic Hamiltonian, choice of initial state, and choice of fragmentation, there is a unique…

Chemical Physics · Physics 2015-06-15 Martin A. Mosquera , Daniel Jensen , Adam Wasserman

Nuclei in dense matter are influenced by the medium. In the cluster mean field approximation, an effective Schr\"odinger equation for the $A$-particle cluster is obtained accounting for the effects of the surrounding medium, such as…

Nuclear Theory · Physics 2015-05-28 G. Röpke

By extrapolating the energies of non-relativistic atoms and their ions with up to 3000 electrons within Kohn-Sham density functional theory, we find that the ionization potential remains finite and increases across a row, even as…

Materials Science · Physics 2015-05-19 Lucian A. Constantin , John C. Snyder , John P. Perdew , Kieron Burke

Nuclear many-body theory is based on the tenet that nuclear systems can be accurately described as collections of point-like particles. This picture, while providing a remarkably accurate explanation of a wealth of measured properties of…

Nuclear Theory · Physics 2023-06-05 Omar Benhar

Effective field theory of the in-medium nucleon-nucleon interaction is considered. The effective range parameters are found to be of a natural scale. The low density limit is discussed both in perturbative and nonperturbative situations. In…

High Energy Physics - Phenomenology · Physics 2007-05-23 B. Krippa

It is shown that the equation of state of nuclear matter can be determined within the mean-field theory of $\sigma \omega$ model provided only that the nucleon effective mass curve is given. We use a family of the possible nucleon effective…

Nuclear Theory · Physics 2008-11-26 Jae Hwang Lee , Young Jae Lee , Suk-Joon Lee

The eigenfunctions of electronic Hamiltonians determine the stable structures and dynamics of molecules through the local distributions of their densities. In this paper an a priori upper bound for such local distributions of the densities…

Mathematical Physics · Physics 2023-11-14 Sohei Ashida

A density-functional theory is developed based on the Maxwell--Schr\"odinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and…

Chemical Physics · Physics 2018-01-17 Erik Tellgren

We describe how density-functional theory, well-known for its many uses in ab initio calculations of electronic structure, can be used to study the ground state of inhomogeneous model Hamiltonians. The basic ideas and concepts are discussed…

Materials Science · Physics 2007-05-23 Valter L. Libero , Klaus Capelle

Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modelled as Gaussian threads with ring-polymer architecture in a four…

Quantum Physics · Physics 2022-11-30 Russell B. Thompson

We study electron densities of eigenfunctions of atomic Schroedinger operators. We prove the existence of rho~'''(0), the third derivative of the spherically averaged atomic density rho~ at the nucleus. For eigenfunctions with corresponding…

Mathematical Physics · Physics 2015-06-26 Søren Fournais , Maria Hoffmann-Ostenhof , Thomas Østergaard Sørensen

Quantum Chromodynamics, the microscopic theory of strong interactions, has not yet been applied to the calculation of nuclear wave functions. However, it certainly provokes a number of specific questions and suggests the existence of novel…

The nuclear $\alpha$ decay of heavy nuclei is investigated based on the nuclear energy density functional, which leads to the $\alpha$ potential inside the parent nucleus in terms of the proton and neutron density profiles of the daughter…

Nuclear Theory · Physics 2017-03-22 Yeunhwan Lim , Yongseok Oh

We construct a new class of phenomenological equations of state for homogeneous matter for use in simulations of hot and dense matter in local thermodynamic equilibrium. We construct a functional form which respects experimental,…

Nuclear Theory · Physics 2019-02-20 Xingfu Du , Andrew W. Steiner , Jeremy W. Holt

A relativistic microscopic optical model potential for nucleon-nucleus scattering is developed based on the \emph{ab initio} relativistic Brueckner-Hartree-Fock (RBHF) theory with the improved local density approximation, which is…

Nuclear Theory · Physics 2024-06-13 Pianpian Qin , Sibo Wang , Hui Tong , Qiang Zhao , Chencan Wang , Z. P. Li , Peter Ring