相关论文: Empirical physical formula for potential energy cu…
Accurately modeling photochemical reactions is difficult due to the presence of conical intersections and locally avoided crossings as well as the inherently multiconfigurational character of excited states. As such, one needs a multi-state…
Recent microscopic studies, based on the theoretical framework of nuclear energy density functionals, have analyzed dynamic (least action) and static (minimum energy) fission paths, and it has been shown that in addition to the important…
Relativistic energy density functionals (REDF) provide a complete and accurate, global description of nuclear structure phenomena. A modern semi-empirical functional, adjusted to the nuclear matter equation of state and to empirical masses…
A systematic study of low energy nuclear structure at normal deformation is carried out using the Hartree-Fock-Bogoliubov theory extended by the Generator Coordinate Method and mapped onto a 5-dimensional collective quadrupole Hamiltonian.…
The evolution of the nuclear shapes along the triaxial landscape is studied in the Pt isotopic chain using the selfconsistent Hartree-Fock-Bogoliubov approximation based on the Gogny interaction. In addition to the parametrization D1S, the…
To further develop accurate and large-scale simulations of electrochemical interfaces, we propose a unified explicit electric potential framework to simultaneously predict atomic forces and electron density distributions. The framework…
Neural networks (NNs) offer a path towards synthesizing and interpreting data on faster timescales than traditional physics-informed computational models. In this work we develop two neural networks relevant to equilibrium and shape control…
Constructing accurate, high dimensional molecular potential energy surfaces (PESs) for polyatomic molecules is challenging. Reproducing Kernel Hilbert space (RKHS) interpolation is an efficient way to construct such PESs. However, the…
The cranked relativistic Hartree+Bogoliubov theory has been applied for a systematic study of the nuclei around 254No, the heaviest elements for which detailed spectroscopic data are available. The deformation, rotational response, pairing…
One of the obstacles hindering the scaling-up of the initial successes of machine learning in practical engineering applications is the dependence of the accuracy on the size of the database that "drives" the algorithms. Incorporating the…
The accurate determination of electron properties is fundamental to low-temperature plasma simulations, necessitating precise solutions to the spatially inhomogeneous electron Boltzmann equation (EBE). This work explores the use of…
In the present study we generalize the self-consistent Hartree-Fock-Bogoliubov (HFB) theory formulated in the coordinate space to the case which incorporates an arbitrary mixing between protons and neutrons in the particle-hole (p-h) and…
The microscopic studies on nuclear fission require the evaluation of the potential energy surface as a function of the collective coordinates. A reasonable choice of constraints on multipole moments should be made to describe the topography…
This paper proposed a novel radial basis function neural network (RBFNN) to solve various partial differential equations (PDEs). In the proposed RBF neural networks, the physics-informed kernel functions (PIKFs), which are derived according…
A recently introduced analytical model for the nuclear density profile[1] is implemented in the Extended Thomas-Fermi (ETF) energy density functional. This allows to (i) shed a new light on the issue of the sign of surface symmetry energy…
Guiding by the relativistic local density approximation, we explore a phenomenological formula for the coupling strength of Coulomb field to take into account the Coulomb exchange term effectively in the relativistic Hartree approximation.…
The development of a modern and more realistic nuclear energy density functional (EDF) for accurate predictions of properties of nuclei is the subject of enhanced activity, since it is very important for the study of properties of nuclear…
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…
The potential-energy surfaces of an extended set of heavy and super-heavy even-even nuclei with $92 \le Z \le 126$ and isospins $40 \le N-Z \le 74$ are evaluated within the recently developed Fourier shape parametrization. Ground-state and…
Potential energy surfaces of even-even superheavy nuclei are evaluated within the macroscopic-microscopic approximation. A very rapidly converging analytical Fourier-type shape parametrization is used to describe nuclear shapes throughout…