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We present a detailed analysis of the broken-symmetry mean-field solutions using a four-electron rectangular quantum dot as a model system. Comparisons of the density-functional theory predictions with the exact ones show that the symmetry…

Condensed Matter · Physics 2009-11-10 A. Harju , E. Rasanen , H. Saarikoski , M. J. Puska , R. M. Nieminen , K. Niemela

The exchange part of energy density of the linear Dirac--Hartree--Fock (DHF) model in symmetric nuclear matter is evaluated in a parameter--free closed form and expressed as density functional. After the rearranging terms the relativistic…

Nuclear Theory · Physics 2021-04-27 S. Gmuca , K. Petrik , J. Leja

A density dependent, effective nucleon-nucleon force of the Skyrme type is derived from the quark-meson coupling model -- a self-consistent, relativistic quark level description of nuclear matter. This new formulation requires no assumption…

Nuclear Theory · Physics 2010-02-17 P. A. M. Guichon , H. H. Matevosyan , N. Sandulescu , A. W. Thomas

Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…

Chemical Physics · Physics 2012-06-12 Hauke Paulsen , Alfred Xaver Trautwein

We calculate, for the first time, the state-dependent pairing gap of a finite nucleus (120Sn) diagonalizing the bare nucleon-nucleon potential (Argonne v14) in a Hartree-Fock basis (with effective k-mass m_k eqult to 0.7 m), within the…

Nuclear Theory · Physics 2009-11-10 F. Barranco , R. A. Broglia , G. Colo' , E. Vigezzi , P. F. Bortignon

The relativistic mean field theory with the Green's function method is taken to study the single-particle resonant states. Different from our previous work [Phys.Rev.C 90,054321(2014)], the resonant states are identified by searching for…

Nuclear Theory · Physics 2020-08-26 Cheng Chen , Zhi Pan Li , Yu Xiao Li , Ting-Ting Sun

By introducing a phase field and solving the eigen-functional equation of particles, we obtain the exact expressions of the ground state energy as a functional of the particle density for interacting electron/boson systems, and a…

Strongly Correlated Electrons · Physics 2007-05-23 Yu-Liang Liu

The foundation of the local energy-density functional method to describe the nuclear ground-state properties is given. The method is used to investigate differential observables such as the odd-even mass differences and odd-even effects in…

Nuclear Theory · Physics 2009-11-07 S. A. Fayans , S. V. Tolokonnikov , E. L. Trykov , D. Zawischa

Density functionals for nuclei usually include an effective 3-body interaction that depends on a fractional power of the density. Using insights from the many-body theory of the low-density two-component Fermi gas, we consider a new,…

Nuclear Theory · Physics 2010-11-19 Alexandros Gezerlis , G. F. Bertsch

Single-particle resonances in the continuum are crucial for studies of exotic nuclei. In this study, the Green's function approach is employed to search for single-particle resonances based on the relativistic-mean-field model. Taking…

Nuclear Theory · Physics 2021-05-11 Ya-Tian Wang , Ting-Ting Sun

We demonstrate for the first time that a functional-renormalization-group aided density-functional theory (FRG-DFT) describes well the characteristic features of the excited states as well as the ground state of an interacting many-body…

Nuclear Theory · Physics 2019-03-08 Takeru Yokota , Kenichi Yoshida , Teiji Kunihiro

The energy density method is generalized to include spin polarization with the full formalism derived based on spin-density functional theory, which aims at decomposing the total energy into well-defined atomic energies. The method involves…

Materials Science · Physics 2026-04-27 Yang Dan , Dallas R. Trinkle

A variational formulation for the calculation of interacting fermion systems based on the density-matrix functional theory is presented. Our formalism provides for a natural integration of explicit many-particle effects into standard…

Strongly Correlated Electrons · Physics 2013-05-29 Peter E. Bloechl , Christian F. J. Walther , Thomas Pruschke

In this paper, we propose a generic and systematic approach for study of the electronic structure for atoms or molecules. In particular, we address the issue of single particle states, or orbitals, which should be one of the most important…

Chemical Physics · Physics 2007-05-23 Liqiang Wei

This paper presents a nonperturbative treatment of strong-coupling induced effects in atom-field systems which cannot be seen in traditional perturbative treatments invoking compromising assumptions such as the Born-Markov, rotating wave or…

Quantum Physics · Physics 2020-02-25 Jen-Tsung Hsiang , Bei-Lok Hu

A microscopic framework of nuclear energy density functionals is reviewed, which establishes a direct relation between low-energy QCD and nuclear structure, synthesizing effective field theory methods and principles of density functional…

Nuclear Theory · Physics 2008-11-26 Dario Vretenar

The application of density functional theory to nuclear structure is discussed, highlighting the current status of the effective action approach using effective field theory, and outlining future challenges.

Nuclear Theory · Physics 2009-11-10 R. J. Furnstahl

We characterize the dynamic non-equilibrium steady state behavior of active particles using density fluctuations in the system. We analyze the effective local density around a particle in the steady state and numerically calculate its mean,…

Statistical Mechanics · Physics 2025-04-22 Jayam Joshi , Pawan Kumar Mishra , Shradha Mishra

We propose a framework to construct the ground-state energy and density matrix of an N-electron system by solving selfconsistently a set of single-particle equations. The method can be viewed as a non-trivial extension of the Kohn-Sham…

Chemical Physics · Physics 2009-11-13 D. Van Neck , S. Verdonck , G. Bonny , P. W. Ayers , M. Waroquier

We formulate a new Hartree-Fock-Bogoliubov method applicable to weakly bound deformed nuclei using the coordinate-space Green's function technique. An emphasis is put on treatment of quasiparticle states in the continuum, on which we impose…

Nuclear Theory · Physics 2009-12-17 Hiroshi Oba , Masayuki Matsuo
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