Related papers: Finite-amplitude method for collective inertia in …
Large scale atomistic simulations with suitable interatomic potentials are widely employed by scientists or engineers of different areas. Quick generation of high-quality interatomic potentials is of urgent need under present circumstances,…
This article reviews how nuclear fission is described within nuclear density functional theory. In spontaneous fission, half-lives are the main observables and quantum tunnelling the essential concept, while in induced fission the focus is…
Finite size scaling for the Schr\"{o}dinger equation is a systematic approach to calculate the quantum critical parameters for a given Hamiltonian. This approach has been shown to give very accurate results for critical parameters by using…
Understanding the mechanisms of induced nuclear fission for a broad range of neutron energies could help resolve fundamental science issues, such as the formation of elements in the universe, but could have also a large impact on societal…
Current work discusses methods for estimating the moments of inertia of fission fragments for spontaneous fission of the isotope Cf-252, in particular, two main approaches are mentioned: statistical and microscopic. In addition, the methods…
In numerous astrophysical scenarios, such as core-collapse supernovae and neutron star mergers, as in well as heavy-ion collision experiments, transitions between thermally populated nuclear excited states have been shown to play an…
We show that the total kinetic energy (TKE) of nuclei after the spontaneous fission of $^{258}$Fm can be well reproduced using simple assumptions on the quantum collective phase-space explored by the nucleus after passing the fission…
We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…
Spontaneous fission half-lives of actinide and super-heavy nuclei are calculated, using the least-action integral, through the WKB tunneling probability of the barrier that appears in the deformation landscape obtained in the…
The augmented Lagrangiam method (ALM), widely used in quantum chemistry constrained optimization problems, is applied in the context of the nuclear Density Functional Theory (DFT) in the self-consistent constrained Skyrme…
We develop a new framework of the deformed quasiparticle-random-phase approximation (QRPA) where the Skyrme density functional and the density-dependent pairing functional are consistently treated. Numerical applications are carried out for…
Random Phase Approximation (RPA) is the basic method for calculation of excited states of nuclei over the Hartree-Fock ground state, suitable also for energy density functionals (EDF or DFT). We developed a convenient formalism for…
The response of a nucleus to an electromagnetic probe is a key quantity to simulate photabsorption or photodeexcitation processes. For large calculations at the scale of the entire mass table, this response can be estimated by linear…
Hybrid quantum mechanical-molecular mechanical (QM/MM) simulations are widely used in enzyme simulation. Over ten convergence studies of QM/MM methods have revealed over the past several years that key energetic and structural properties…
We present a large scale survey of life-times for spontaneous fission in the regime of super-heavy elements (SHE), i.e. nuclei with Z=104-122. This is done on the basis of the Skyrme-Hartree-Fock model. The axially symmetric fission path is…
Background: The complete event fission simulation code FREYA is used to study correlations in fission. To make the best possible simulations, FREYA one must find the optimized values of the five physics-based parameters which characterize…
A microscopic model aimed at the description of charge-exchange nuclear excitations along isotopic chains which include open-shell systems, is developed. It consists of quasiparticle random phase approximation (QRPA) made on top of…
Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations…
An iterative method we previously proposed to compute nuclear strength functions is developed to allow it to accurately calculate properties of individual nuclear states. The approach is based on the quasi-particle-random-phase…
At present there are two vastly different ab initio approaches to the description of the the many-body dynamics: the Density Functional Theory (DFT) and the functional integral (path integral) approaches. On one hand, if implemented…