Related papers: Deformed natural orbitals for ab initio calculatio…
Nuclear many-body calculations are computationally demanding. An estimate of their accuracy is often hampered by the limited amount of computational resources even on present-day supercomputers. We provide an extrapolation method based on…
In this work, we systematically investigate the favored $\alpha$-decay half-lives and $\alpha$ preformation probabilities of both odd-$A$ and doubly-odd nuclei related to ground and isomeric states around the doubly magic cores at $Z=82$,…
The nuclear shell model is one of the prime many-body methods to study the structure of atomic nuclei, but it is hampered by an exponential scaling on the basis size as the number of particles increases. We present a shell-model quantum…
The projection of the eigenfunctions obtained in standard plane-wave first-principle electronic-structure calculations into atomic-orbital basis sets is proposed as a formal and practical link between the methods based on plane waves and…
The many approaches that have been pursued in seeking an understanding of nuclear rotational dynamics are reviewed and reassessed with a view to their development in the light of recent progress and the research tools that are now…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
The semiclassical origins of the enhancement of shell effects in exotic-shape mean-field potentials are investigated by focusing attention on the roles of the local symmetries associated with the periodic-orbit bifurcations. The deformed…
Quantum many-body theory has witnessed tremendous progress in various fields, ranging from atomic and solid-state physics to quantum chemistry and nuclear structure. Due to the inherent computational burden linked to the ab initio treatment…
The extension of the highly-optimized local natural orbital (LNO) CCSD(T) method is presented for high-spin open-shell molecules. The techniques enabling the outstanding efficiency of the closed-shell LNO-CCSD(T) variant are adopted,…
In recent years many-body perturbation theory encountered a renaissance in the field of ab initio nuclear structure theory. In various applications it was shown that perturbation theory, including novel flavors of it, constitutes a useful…
We merge two successful ab initio nuclear-structure methods, the no-core shell model (NCSM) and the multi-reference in-medium similarity renormalization group (IM-SRG) to define a new many-body approach for the comprehensive description of…
Classical periodic orbits responsible for emergence of the superdeformed shell structures for single-particle motions in spheroidal cavities are identified and their relative contributions to the shell structures are evaluated. Both prolate…
We present an approach for augmenting Gaussian atomic orbitals with correct nuclear cusps. Like the atomic orbital basis set itself, and unlike previous cusp corrections, this approach is independent of the many-body method used to prepare…
Emergent properties such as nuclear saturation and deformation, and the effects on shell structure due to the proximity of the scattering continuum and particle decay channels are fascinating phenomena in atomic nuclei. In recent years, ab…
Background: Effective interactions, either derived from microscopic theories or based on fitting selected properties of nuclei in specific mass regions, are widely used inputs to shell-model studies of nuclei. Until recently, most…
Decoherence of electron spins in nanoscale systems is important to quantum technologies such as quantum information processing and magnetometry. It is also an ideal model problem for studying the crossover between quantum and classical…
The systematic change of shell structure in both weakly bound and resonant neutron one-particle levels in nuclei towards the neutron drip line is exhibited, solving the coupled equations derived from the Schr\"{o}dinger equation in…
A comprehensive assessment of theoretical uncertainties defines an important frontier in nuclear structure research. Ideally, theory predictions include uncertainty estimates that take into account truncation effects from both the…
We apply high-order many-body perturbation theory for the calculation of ground-state energies of closed-shell nuclei using realistic nuclear interactions. Using a simple recursive formulation, we compute the perturbative energy…
We introduce a shell-model theory that combines traditional spherical states, which yield a diagonal representation of the usual single-particle interaction, with collective configurations that track deformations, and test the validity of…