相关论文: Extended Fayans energy density functional: optimiz…
Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…
The collective Hamiltonian including isovector pairing and $\alpha$-particle type correlation degrees of freedom is constructed. The Hamiltonian is applied to description of the relative energies of the ground states of even-even nuclei…
The antiferromagnetic (AF) model is generalized for the quasielectron system composed of identical ionic-covalent dimers. The density-fluctuation and covalent-correlation operators are constructed based on the extended AF density matrices,…
We utilize a nuclear shell model Hamiltonian with only two adjustable parameters to generate, for the first time, exact solutions for pairing correlations for light to medium-mass nuclei, including the challenging proton-neutron pairs,…
Using the relativistic mean-field model with nonlinear couplings between the isoscalar and isovector mesons, we study the properties of isospin-asymmetric nuclear matter. Not only the vector mixing,…
In the framework of the KIDS generalized energy density functional (EDF), the nuclear equation of state (EoS) is expressed as an expansion in powers of the Fermi momentum or the cubic root of the density ($\rho^{1/3}$). Although an optimal…
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…
Information about the physical properties of astrophysical objects cannot be measured directly but is inferred by interpreting spectroscopic observations in the context of atomic physics calculations. Ratios of emission lines, for example,…
The last five years have seen remarkable progress in our quest to determine the equation of state of neutron rich matter. Recent advances across the theoretical, experimental, and observational landscape have been incorporated in a Bayesian…
We reexamine neutron-proton pairing as a phenomenon that should be explanable in a microscopic theory of nuclear binding energies. Empirically, there is an increased separation energy when both neutron and proton numbers are even or if they…
Nonadiabatic effects in chemical reaction at metal surfaces, due to excitation of electron-hole pairs, stand at the frontier of the studies of gas-surface reaction dynamics. However, the first principles description of electronic excitation…
The equation of state (EOS) for neutron stars is modeled using the Relativistic Mean Field (RMF) approach with a mesonic nonlinear (NL) interaction, a modified sigma cut potential (NL-$\sigma$ cut), and the influences of dark matter in the…
Charge radii are sensitive indicators to identify the nuclear structure phenomena throughout the whole nuclide chart. In particular, the shrunken trend of changes of charge radii along a long isotopic chain is intimately associated with the…
Relative binding energies (RBEs) within three isotopic chains ($^{100-130}$Sn, $^{152-181}$Yb, and $^{181-202 }$Pb) have been studied using the exactly solvable extended pairing model (EPM) \cite{FPan04}. The unique pairing strength $G$,…
The present document focuses on the theoretical foundations of the nuclear energy density functional (EDF) method. As such, it does not aim at reviewing the status of the field, at covering all possible ramifications of the approach or at…
In this report, we present a deep learning framework termed the Electron Correlation Potential Neural Network (eCPNN) that can learn succinct and compact potential functions. These functions can effectively describe the complex…
Finite-temperature effects can be included by calculating the vibrations properties and this can greatly improve the fidelity of computational screening. An important challenge for DFT-based screening is the sensitivity of the predictions…
We present the simplest nuclear energy density functional (NEDF) to date, determined by only 4 significant phenomenological parameters, yet capable of fitting measured nuclear masses with better accuracy than the Bethe-Weizs\"acker mass…
We perform nonadiabatic simulations of warm dense aluminum based on the electron-force field (EFF) variant of wave-packet molecular dynamics. Comparison of the static ion-ion structure factor with density functional theory (DFT) is used to…
Mutual entrainment effects in cold neutron-proton mixtures are studied in the framework of the self-consistent nuclear energy-density functional theory. Exact expressions for the mass currents, valid for both homogeneous and inhomogeneous…