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The density functional theory (DFT) interaction energy of a dimer is rigorously derived from the monomer densities. To this end, the supermolecular energy bifunctional is formulated in terms of mutually orthogonal sets of orbitals of the…

More than half of a century has passed since the free energy of classical fluids defined by second Legendre transform was derived as a functional of density-density correlation function. It is now becoming an increasingly significant issue…

Statistical Mechanics · Physics 2018-12-05 Hiroshi Frusawa

We have performed shell-model calculations for the even- and odd-mass N=82 isotones, focusing attention on low-energy states. The single-particle energies and effective two-body interaction have been both determined within the framework of…

Nuclear Theory · Physics 2009-12-17 L. Coraggio , A. Covello , A. Gargano , N. Itaco , T. T. S. Kuo

Central depression of nucleonic density, i.e., a reduction of density in the nuclear interior, has been attributed to many factors. E.g., bubble structures in superheavy (SH) nuclei are believed to be due to the electrostatic repulsion. In…

Nuclear Theory · Physics 2017-08-16 Bastian Schuetrumpf , Witold Nazarewicz , Paul-Gerhard Reinhard

We propose a unified realistic shell-model Hamiltonian employing the pairing plus multipole Hamiltonian combined with the monopole interaction constructed starting from the monopole-based universal force by Otsuka it et al. (Phys. Rev.…

Nuclear Theory · Physics 2015-06-18 K. Kaneko , T. Mizusaki , Y. Sun , S. Tazaki

A characteristic feature of long-range interacting systems is that they become trapped in a non-equilibrium and long-lived quasi-stationary state (QSS) during the early stages of their development. We present a comprehensive review of…

Statistical Mechanics · Physics 2016-05-25 Eiji Konishi

A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…

Strongly Correlated Electrons · Physics 2009-11-07 J. E. Hirsch

The quasi-SU(3) symmetry, as found in shell model calculations, refers to the dominance of the single particle plus quadrupole-quadrupole terms in the Hamiltonian used to describe well deformed nuclei, and to the subspace relevant in its…

Nuclear Theory · Physics 2007-05-23 C. E. Vargas , J. G. Hirsch , J. P. Draayer

We discuss the role of mean-field and moment methods in microscopic models for calculating the nuclear density of states (also known as the nuclear level density). Working in a shell-model framework, we use moments of the nuclear many-body…

Nuclear Theory · Physics 2007-05-23 Calvin W. Johnson , Edgar Teran

We review the latest variational calculations of the ground state properties of doubly closed shell nuclei, from $^{12}$C to $^{208}$Pb, with semirealistic and realistic two- and three-nucleon interactions. The studies are carried on within…

Nuclear Theory · Physics 2011-04-15 A. Fabrocini , F. Arias de Saavedra , G. P. Co'

In the present work, newly developed microscopic effective $sd$-valence shell interactions such as chiral next-to-next-to-next-to-leading order (N3LO), $J$-matrix inverse scattering potential (JISP16), Daejeon16 (DJ16), and…

Nuclear Theory · Physics 2023-05-08 Priyanka Choudhary , Praveen C. Srivastava

We explore the impact of nuclear matter saturation on the properties and systematics of finite nuclei across the nuclear chart. Using the ab initio in-medium similarity renormalization group (IM-SRG), we study ground-state energies and…

Nuclear Theory · Physics 2017-07-12 J. Simonis , S. R. Stroberg , K. Hebeler , J. D. Holt , A. Schwenk

Constraint Molecular dynamics CoMD calculations have been performed for asymmetric nuclear matter (NM) by using a simple effective interactions of the Skyrme type. The set of parameter values reproducing common accepted saturation…

Nuclear Theory · Physics 2013-01-10 Massimo Papa

It is shown that the electron density functional correlation functional satisfies an equation that links the N-electron and (N-1)-electron densities of the same adiabatically scaled Hamiltonian of the interacting electron system.

Materials Science · Physics 2012-04-01 Daniel P. Joubert

The question of isospin-symmetry breaking in nuclei of the $sd$ shell is addressed. We propose a new global parameterization of the isospin-nonconserving (INC) shell-model Hamiltonian which accurately describes experimentally known isobaric…

Nuclear Theory · Physics 2013-07-02 Yi Hua Lam , Nadezda A. Smirnova , Etienne Caurier

Multi-configurational wave functions are known to describe electronic structure across a Born-Oppenheimer surface qualitatively correct. However, for quantitative reaction energies, dynamical correlation originating from the many…

Chemical Physics · Physics 2020-04-16 Christopher J. Stein , Markus Reiher

The interacting shell model, a configuration-interaction method, is a venerable approach for low-lying nuclear structure calculations; but it is hampered by the exponential growth of its basis dimension as one increases the single-particle…

Nuclear Theory · Physics 2024-09-05 Oliver C. Gorton , Calvin W. Johnson

We present a unitary correlation operator that explicitly induces into shell model type many-body states short ranged two-body correlations caused by the strong repulsive core and the pronounced tensor part of the nucleon-nucleon…

Nuclear Theory · Physics 2016-09-08 Thomas Neff , Hans Feldmeier

Many chemical systems cannot be described by quantum chemistry methods based on a singlereference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important…

Chemical Physics · Physics 2018-06-12 Erik Donovan Hedegård , Julien Toulouse , Hans Jørgen Aagaard Jensen

Relativistic energy density functionals (REDF) provide a complete and accurate, global description of nuclear structure phenomena. A modern semi-empirical functional, adjusted to the nuclear matter equation of state and to empirical masses…

Nuclear Theory · Physics 2015-06-05 V. Prassa , T. Niksic , G. A. Lalazissis , D. Vretenar
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