Related papers: Nonempirical Density Functionals Investigated for …
For temperatures $T$ ranging from a few MeV up to TeV and energy density $\rho$ up to $10^{16}~$GeV/fm$^3$, the bulk viscosity $\zeta$ is calculated in non-perturbation (up, down, strange, charm, and bottom) and perturbation theories with…
Inclusive J/$\psi$ yields and average transverse momenta in p-Pb collisions at a center-of-mass energy per nucleon pair $\sqrt{s_{\rm NN}}$ = 8.16 TeV are measured as a function of the charged-particle pseudorapidity density with ALICE. The…
The high-pressure and high-temperature thermodynamic properties of iridium are studied using density functional theory in combination with the quasi-harmonic approximation, where both the contributions to the free energy of phonons and of…
The random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. That large short-range error, which tends to cancel out of…
Unlike the local density approximation (LDA) and the generalized gradient approximation (GGA), calculations with meta-generalized gradient approximations (meta-GGA) are usually done according to the generalized Kohn-Sham (gKS) formalism.…
Originating from a broken spatial inversion symmetry, ferroelectricity is a functionality of materials with an electric dipole that can be switched by external electric fields. Spontaneous polarization is a crucial ferroelectric property,…
The thermodynamic properties of matter created in high-energy heavy-ion collisions have been studied in the framework of the non-extensive Tsallis statistics. The transverse momentum ($p_{\rm T}$)~spectra of identified charged particles…
Local and semilocal density-functional approximations for the exchange-correlation energy fail badly in the zero-thickness limit of a quasi-two-dimensional electron gas, where the density variation is rapid almost everywhere. Here we show…
The main scope of this research consists in evaluating the energy-momentum (gravitational field plus matter) and gravitational angular momentum densities in the universe with global rotation, considering the Godel-Obukhov metric. For this,…
Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…
Measurements of the centrality and rapidity dependence of inclusive jet production in $\sqrt{s_\mathrm{NN}} = 5.02$ TeV proton--lead ($p$+Pb) collisions and the jet cross-section in $\sqrt{s} = 2.76$ TeV proton--proton collisions are…
The relationship between surfaces of constant charge density and triply-periodic minimal surfaces (TPMS) has been the subject of considerable speculation over many years. Zero-potential surfaces generated by an electrostatic field from a…
The interaction of an intense laser pulse with a solid target produces energetic proton and ion beams through the Target Normal Sheath Acceleration (TNSA) mechanism. Such beams are under active investigation for applications in proton beam…
Density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use the Hubbard corrections to treat strongly correlated…
A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…
We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…
Two-particle angular correlation measurements are sensitive probes of the interactions of particles with the medium formed in heavy-ion collisions. Such measurements are done by determining the distribution of the relative pseudorapidity…
A simple, novel, non-empirical, constraint-based orbital-free generalized gradient approximation (GGA) non-interacting kinetic energy density functional is presented along with illustrative applications. The innovation is adaptation of…
One of the standard generalized-gradient approximations (GGAs) in use in modern electronic-structure theory, PBE, and a recently proposed modification designed specifically for solids, PBEsol, are identified as particular members of a…
Gaussian process regression has recently emerged as a powerful, system-agnostic tool for building global potential energy surfaces (PES) of polyatomic molecules. While the accuracy of GP models of PES increases with the number of potential…