Related papers: Solving the three-dimensional Skyrme Hartree-Fock-…
We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference scheme. The optimization is driven by solving the…
To describe the yrast states in weakly bound nuclei, I directly solve the coordinate-space cranked Skyrme-Hartree-Fock-Bogoliubov equation on a three-dimensional lattice with the continuum states discretized in a box. After the numerical…
We report a three-dimensional numerical implementation of multiconfiguration time-dependent Hartree-Fock (MCTDHF) based on a multi-resolution Cartesian grid, with no need to assume any symmetry of molecular structure. We successfully…
Condensed Fermi systems with an odd number of particles can be described by means of polarizing external fields having a time-odd character. We illustrate how this works for Fermi gases and atomic nuclei treated by density functional theory…
We study the convergence properties of nuclear binding energies and two-neutron separation energies obtained with self-consistent mean-field calculations based on the Hartree-Fock-Bogolyubov (HFB) method with Gogny-type effective…
We present simple equations for a canonical-basis formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory. The equations are obtained from the TDHFB theory with an approximation that the pair potential is assumed to be…
After a brief review of the Hartree-Fock-Bogoliubov method with Skyrme effective interactions, we show how it can be applied to the description of various nuclear systems, from finite nuclei to neutron-star crusts.
In this article, we use quasifree reduction to derive the time-dependent Hartree-Fock-Bogoliubov (HFB) equations describing the dynamics of quantum fluctuations around a Bose-Einstein condensate in $\mathbb R^d$. We prove global…
We investigated the structure of the low density regions of the inner crust of neutron stars using the Hartree-Fock-Bogoliubov (HFB) model to predict the proton content $Z$ of the nuclear clusters and, together with the lattice spacing, the…
We present background concepts of the nuclear density functional theory (DFT) and applications of the time-dependent DFT with the Skyrme energy functional for nuclear response functions. Practical methods for numerical applications of the…
The Hermite radial basis functions (HRBFs) implicits have been used to reconstruct surfaces from scattered Hermite data points. In this work, we propose a closed-form formulation to construct HRBF-based implicits by a quasi-solution…
This paper introduces and analyses the new grid-based tensor approach for approximate solution of the eigenvalue problem for linearized Hartree-Fock equation applied to the 3D lattice-structured and periodic systems. The set of localized…
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…
We present the implementation of a variational finite element solver in the HelFEM program for benchmark calculations on diatomic systems. A basis set of the form $\chi_{nlm}(\mu,\nu,\phi)=B_{n}(\mu)Y_{l}^{m}(\nu,\phi)$ is used, where…
Using the Hartree-Fock-Bogoliubov (HFB) mean field theory in coordinate space, we investigate ground state properties of the sulfur isotopes from the line of stability up to the two-neutron dripline ($^{34-52}S$). In particular, we…
The Hartree-Fock problem was recently recast as a semidefinite optimization over the space of rank-constrained two-body reduced-density matrices (RDMs) [Phys. Rev. A 89, 010502(R) (2014)]. This formulation of the problem transfers the…
{Full three dimensional static and dynamic mean field calculations using collocation basis splines with a Skyrme type Hamiltonian are described. This program is developed to address the difficult theoretical challenges offered by exotic…
We present an illustration of using a quantum three-body code being prepared for public release. The code is based on iterative solving of the three-dimensional Faddeev equations. The code is easy to use and allows users to perform…
Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…