Related papers: Deformed natural orbitals for ab initio calculatio…
A method of truncating the large shell model basis is outlined. It relies on the order given by the unperturbed energies of the basis states and on the constancy of their spreading widths. Both quantities can be calculated by a simple…
We apply degenerate many-body perturbation theory at high orders for the ab-initio description of ground states and excitation spectra of open-shell nuclei using soft realistic nucleon-nucleon interactions. We derive a recursive formulation…
We propose a hybrid quantum-classical framework to solve the elastic scattering phase shift of two well-bound nuclei in an uncoupled channel. Within this framework, we develop a many-body formalism in which the continuum scattering states…
In this paper, we propose an orbital iteration based parallel approach for electronic structure calculations. This approach is based on our understanding of the single-particle equations of independent particles that move in an effective…
To solve the Kohn-Sham equation within the framework of density functional theory, we develop a scheme to construct numerical atomic orbital (NAO) basis sets by contracting truncated spherical waves (TSWs). The contraction minimizes the…
Various applications of quantum algebraic techniques in nuclear and molecular physics are briefly reviewed. Emphasis is put in the study of the symmetries of the anisotropic quantum harmonic oscillator with rational ratios of frequencies,…
Three-nucleon (3N) interactions are key for an accurate solution of the nuclear many-body problem. However, fully taking into account 3N forces constitutes a computational challenge and hence approximate treatments are commonly employed.…
We explore the preparation of specific nuclear states on gate-based quantum hardware using variational algorithms. Large scale classical diagonalization of the nuclear shell model have reached sizes of $10^9 - 10^{10}$ basis states, but are…
The most common method for calculating accurate numerical solutions for complicated linear differential equations - for example, finding eigenvalues and eigenfunctions of the Schrodinger equation for many-electron atoms - is the variational…
Various applications of quantum algebraic techniques in nuclear structure physics, such as the su$_q$(2) rotator model and its extensions, the use of deformed bosons in the description of pairing correlations, and the construction of…
Correlated Basis Function theory and Fermi Hypernetted Chain technique are extended to study medium-heavy, doubly closed shell nuclei in j-j coupling scheme, with different single particle wave functions for protons and neutrons and isospin…
As ab-initio calculations of atomic nuclei enter the A=40-100 mass range, a great challenge is how to approach the vast majority of open-shell (degenerate) isotopes. We add realistic three-nucleon interactions to the state of the art…
Stochastic hydrodynamics is a central tool in the study of first order phase transitions at a fundamental level. Combined with sophisticated free energy models, e.g. as developed in classical Density Functional Theory, complex processes…
Manifestations of pronounced shell effects are discovered when adding nonaxial octupole deformations to a harmonic oscillator model. The degeneracies of the quantum spectra are in a good agreement with the corresponding main periodic orbits…
We propose a framework for computing the structure and dynamics for second-quantized many-nucleon Hamiltonians on quantum computers. We develop an oracle-based Hamiltonian input model that computes the many-nucleon states and nonzero…
Convergence aspects of nuclear many-body perturbation theory for ground states of closed-shell nuclei are explored using a Brillouin-Wigner formulation with a new vertex function enabling high-order calculations. A general formalism for…
A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multi-configurational self-consistent field calculation…
Finite-range numerical atomic orbitals are the basis functions of choice for several first principles methods, due to their flexibility and scalability. Generating and testing such basis sets, however, remains a significant challenge for…
Recently, a square-integrable discrete basis, obtained performing a simple analytical local scale transformation to the harmonic oscillator basis, has been proposed and successfully applied to study the properties of two-body systems. Here,…
The use of the hyperspherical harmonic (HH) basis in the description of bound states in an $A$-body system composed by identical particles is normally preceded by a symmetrization procedure in which the statistic of the system is taken into…