Related papers: Deformed natural orbitals for ab initio calculatio…
Ab initio many-body methods address closed-shell nuclei up to mass A ~ 130 on the basis of realistic two- and three-nucleon interactions. Several routes to address open-shell nuclei are currently under investigation, including ideas which…
The shell correction method is revisited. Contrary to the traditional Strutinsky method, the shell energy is evaluated by an averaging over the number of particles and not over the single-particle energies, which is more consistent with the…
Band structure unfolding is a key technique for analyzing and simplifying the electronic band structure of large, internally distorted supercells that break the primitive cell's translational symmetry. In this work, we present an efficient…
Methods for electronic structure based on Gaussian and molecular orbital discretizations offer a well established, compact representation that forms much of the foundation of correlated quantum chemistry calculations on both classical and…
Nuclear structure and reaction theory are undergoing a major renaissance with advances in many-body methods, realistic interactions with greatly improved links to Quantum Chromodynamics, the advent of high performance computing, and…
The rotating nuclei represent one of most interesting subjects for theoretical and experimental studies. They open a new dimension of nuclear landscape, namely, spin direction. Contrary to the majority of nuclear systems, their properties…
This paper investigates the possible use of the Hyperspherical Adiabatic basis in the description of scattering states of a three-body system. In particular, we analyze a 1+2 collision process below the three-body breakup. The convergence…
We present a method based on hyperspherical harmonics to solve the nuclear many-body problem. It is an extension of accurate methods used for studying few-body systems to many bodies and is based on the assumption that nucleons in nuclei…
We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide. Ab initio DFT starts with a microscopic Hamiltonian and is naturally formulated using…
The effect of an octupole term in a quadrupole deformed single particle potential is studied from the classical and quantum mechanical view point. Whereas the problem is nonintegrable, the quantum mechanical spectrum nevertheless shows some…
We introduce natural atomic orbitals as the local projector to define the correlated subspace for DFT + DMFT (density functional theory plus dynamical mean-field theory) calculation. The natural atomic orbitals are found to be stably…
Semiclassical periodic-orbit theory (POT) is applied to the physics of nuclear structures, with the use of a realistic nuclear mean-field model given by the radial power-law potential. Evolution of deformed shell structures, which are…
Black hole binaries on non-eccentric orbits form an important subclass of gravitational wave sources, but it is a non-trivial issue to construct numerical initial data with minimal initial eccentricity for numerical simulations. We compute…
Deformed shell structures in nuclear mean-field potentials are systematically investigated as functions of deformation and surface diffuseness. As the mean-field model to investigate nuclear shell structures in a wide range of mass numbers,…
Extending many-body numerical techniques which are powerful in the context of simple model calculations to the realm of realistic material simulations can be a challenging task. Realistic systems often involve multiple active orbitals,…
Calculations in ab initio no-core configuration interaction (NCCI) approaches, such as the no-core shell model or no-core full configuration methods, have conventionally been carried out using the harmonic-oscillator many-body basis.…
Performing shell model calculations for heavy nuclei is a long-standing problem in nuclear physics. The shell model truncation in the configuration space is an unavoidable step. The Projected Shell Model (PSM) truncates the space under the…
The momentum distributions, natural orbits, spectroscopic factors and quasi-hole wave functions of the C12, O16, Ca40, Ca48, and Pb208 doubly closed shell nuclei, have been calculated in the framework of the Correlated Basis Function…
Quantum computers are expected to provide a ultimate solver for quantum many-body systems, although it is a tremendous challenge to achieve that goal on current noisy quantum devices. This work illustrated quantum simulations of ab initio…
A highly specialized two-center shell model has been developed accounting for the splitting of a deformed parent nucleus into two ellipsoidaly deformed fragments. The potential is based on deformed oscillator wells in direct correspondance…