Search

We introduce a few extensions to the Hyperspherical Harmonics (HH) approach in order to include intrinsic excitations degrees of freedom. To this end we adapt the HH expansion method, usually built up starting from a fixed mass-weighted set of Jacobi coordinates, to the more general case where an arbitrary weighted set of coordinates is adopted. We provide a few results for 3- and 4-body bound state calculations.

The program diagonalizes the Geometric Collective Model (Bohr Hamiltonian) with generalized Gneuss&ndash, Greiner potential with terms up to the sixth power in &beta, In nuclear physics, the Bohr&ndash, Mottelson model with later extensions into the rotovibrational Collective model is an important theoretical tool with predictive power and it represents a fundamental step in the education of a nuclear physicist. Nuclear spectroscopists might find it useful for fitting experimental data, reproducing spectra, EM transitions and moments and trying theoretical predictions, while students might find it useful for learning about connections between the nuclear shape and its quantum origin. Matrix elements for the kinetic energy operator and for scalar invariants as &beta, 2 and &beta, 3 cos ( 3 &gamma, ) have been calculated in a truncated five-dimensional harmonic oscillator basis with a different program, checked with three different methods and stored in a matrix library for the lowest values of angular momentum. These matrices are called by the program that uses them to write generalized Hamiltonians as linear combinations of certain simple operators. Energy levels and eigenfunctions are obtained as outputs of the diagonalization of these Hamiltonian operators.

Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane waves, and renowned for its performance on a wide range of hardware architectures, from laptops to massively parallel computers, as well as for the breadth of its applications. In this paper, we present a motivation and brief review of the ongoing effort to port Quantum ESPRESSO onto heterogeneous architectures based on hardware accelerators, which will overcome the energy constraints that are currently hindering the way toward exascale computing.