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Large-scale applications of energy density functional (EDF) methods depend on fast and reliable algorithms to solve the associated non-linear self-consistency problem. When dealing with large single-particle variational spaces, existing…

Nuclear Theory · Physics 2019-06-24 W. Ryssens , M. Bender , P. -H. Heenen

The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…

Materials Science · Physics 2019-04-10 Krishnendu Ghosh , He Ma , Vikram Gavini , Giulia Galli

The Multi-Reference Energy Density Functional (MR-EDF) approach (also called configuration mixing or Generator Coordinate Method), that is commonly used to treat pairing in finite nuclei and project onto particle number, is re-analyzed. It…

Nuclear Theory · Physics 2015-05-28 Guillaume Hupin , Denis Lacroix , Michael Bender

The explicit density (rho) dependence in the coupling coefficients of the non-relativistic nuclear energy-density functional (EDF) encodes effects of three-nucleon forces and dynamical correlations. The necessity for a coupling coefficient…

Nuclear Theory · Physics 2018-01-31 Panagiota Papakonstantinou , Tae-Sun Park , Yeunhwan Lim , Chang Ho Hyun

A microscopic formulation of the interacting boson-fermion model for odd-$A$ nuclei is made using the nuclear energy density functional framework. Strength parameters for the bosonic Hamiltonian and boson-fermion interactions are shown to…

Nuclear Theory · Physics 2025-09-22 M. Homma , K. Nomura

We present the first application of a new approach, proposed in [Journal of Physics G: Nuclear and Particle Physics, 43, 04LT01 (2016)] to derive coupling constants of the Skyrme energy density functional (EDF) from ab initio Hamiltonian.…

Nuclear Theory · Physics 2020-09-03 G. Salvioni , J. Dobaczewski , C. Barbieri , G. Carlsson , A. Idini , A. Pastore

In a previous work (arXiv:2010.02027) we showed how the full configuration interaction (FCI) ground state energy can be obtained as a functional of an arbitrary reference wavefunction by means of a gradient descent or quasi-Newton…

Chemical Physics · Physics 2020-12-10 Carlos A. Jiménez-Hoyos

The recently developed effective interaction method for the hyperspherical harmonic formalism is extended to noncentral forces. Binding energies and radii of three- and four-body nuclei are calculated with AV6 and AV14 NN potentials.…

Nuclear Theory · Physics 2009-11-07 Nir Barnea , Winfried Leidemann , Giuseppina Orlandini

This contribution reviews the present status on the available constraints to the nuclear equation of state (EoS) around saturation density from nuclear structure calculations on ground and collective excited state properties of atomic…

Nuclear Theory · Physics 2018-06-12 X. Roca-Maza , N. Paar

The spectrum of a one-dimensional pseudospin-one Hamiltonian with a three-component potential is studied for two configurations: (i) all the potential components are constants over the whole coordinate space and (ii) the profile of some…

Quantum Physics · Physics 2023-10-30 A. V. Zolotaryuk , Y. Zolotaryuk , V. P. Gusynin

Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…

Materials Science · Physics 2021-02-02 Krishnendu Ghosh , He Ma , Mykyta Onizhuk , Vikram Gavini , Giulia Galli

Multi-reference calculations along the lines of the Generator Coordinate Method or the restoration of broken symmetries within the nuclear Energy Density Functional (EDF) framework are becoming a standard tool in nuclear structure physics.…

Nuclear Theory · Physics 2011-08-17 D. Lacroix , T. Duguet , M. Bender

The development of a modern and more realistic nuclear energy density functional (EDF) for accurate predictions of properties of nuclei is the subject of enhanced activity, since it is very important for the study of properties of nuclear…

Nuclear Theory · Physics 2019-11-14 S. Shlomo , A. I. Sanzhur

The two- and three-nucleon interaction derived in chiral effective field theory at next-to-next-to-leading order is used to obtain the binding energy of nuclear matter. Saturation is found at a binding energy per particle E/A = -16.2 \pm…

Nuclear Theory · Physics 2010-10-05 S. Krewald , E. Epelbaum , U. -G. Meißner , P. Saviankou

Microscopic energy density functionals (EDF) have become a standard tool for nuclear structure calculations, providing an accurate global description of nuclear ground states and collective excitations. For spectroscopic applications this…

Nuclear Theory · Physics 2011-08-04 K. Nomura , T. Niksic , T. Otsuka , N. Shimizu , D. Vretenar

In the framework of nuclear energy density functional (EDF) methods, many nuclear phenomena can be related to the deformation of intrinsic states. Their accurate modeling relies on the correct description of the change of nuclear binding…

Nuclear Theory · Physics 2024-03-26 Philippe Da Costa , Karim Bennaceur , Jacques Meyer , Wouter Ryssens , Michael Bender

Properties of finite nuclei are evaluated with two-nucleon (NN) and three-nucleon (NNN) interactions derived within chiral effective field theory (EFT). The nuclear Hamiltonian is fixed by properties of the A=2 system, except for two…

Nuclear Theory · Physics 2008-11-26 P. Navratil , V. G. Gueorguiev , J. P. Vary , W. E. Ormand , A. Nogga

A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten

Selective configuration interaction methods approximate correlated molecular ground- and excited states by considering only the most relevant Slater determinants in the expansion. While a recently proposed neural-network-assisted approach…

In the last 10 years, we have observed an important increase of interest in the application of time-dependent energy density functional theory (TD-EDF). This approach allows to treat nuclear structure and nuclear reaction from small to…

Nuclear Theory · Physics 2015-10-28 Denis Lacroix , Yusuke Tanimura , Guillaume Scamps , Cédric Simenel