Related papers: Nuclear Quantum Effects and Nonlocal Exchange-Corr…
The adsorption and diffusion of H atoms on beta-PtO2(001) surface have been studied using first-principles calculations. The chemisorbed H atoms are found to bind preferentially on the top sites of O atoms due to the much larger adsorption…
Quantum shell effects drive many aspects of many-body quantal systems and their interactions. Among these are the quasifission reactions that impede the formation of a compound nucleus in superheavy element (SHE) searches. Fragment…
We investigate basic hydrogen quantities like the molecular bond length, the molecular dissociation energy and the van-der-Waals interaction in idealized situations in an effort to discern a suitable exchange-correlation functional for the…
We investigate nuclear matter at finite temperature and density, including the formation of light clusters up to the alpha particle The novel feature of this work is to include the formation of clusters as well as their dissolution due to…
Screening effects of electrons on inhomogeneous nuclear matter, which includes spherical, slablike, and rodlike nuclei as well as spherical and rodlike nuclear bubbles, are investigated in view of possible application to cold neutron star…
Reducing uncertainties in the nuclear matrix elements (NMEs) remains a critical challenge in designing and interpreting experiments aimed at discovering neutrinoless double beta ($0\nu\beta\beta$) decay. Here, we identify a class of…
Nuclear quantum effects are important in a variety of chemical and biological processes. The constrained nuclear-electronic orbital density functional theory (cNEO-DFT) has been developed to include nuclear quantum effects in energy…
Liquid atomic metallic hydrogen is the simplest, lightest, and most abundant of all liquid metals. The role of nucleon motions or ion dynamics has been somewhat ignored in relation to the dissociative insulator-metal transition. Almost all…
Neutrino-nucleus elastic scattering ($\nu {\rm A}_{el}$) provides a unique laboratory to study the quantum-mechanical (QM) coherency effects in electroweak interactions. The deviations of the cross-sections from those of completely coherent…
We report the experimental observation of quantum interference in the nuclear wave-packet dynamics driving ultrafast excitation-energy transfer in argon dimers below the threshold of interatomic Coulombic decay (ICD). Using time-resolved…
We calculate the x-ray absorption spectra of liquid water at ambient conditions and of hexagonal ice close to melting, using a static GW approach that includes approximately local field effects. Quantum dynamics of the nuclei is taken into…
Using the Dirac equation, we study corrections to electron binding energies and hyperfine splittings of atomic hydrogen and hydrogen-like ions due to finite nuclear size (FNS) effects, relativistic QED radiative corrections and nuclear…
The Coulomb exchange and correlation energy density functionals for electron systems are applied to nuclear systems. It is found that the exchange functionals in the generalized gradient approximation provide agreements with the exact-Fock…
We use a novel sample geometry to study non-local effects of edge excitations in the integer quantum Hall effect regime. We find that the condition of local equilibrium at the quantum Hall edge is affected by the diffusion of dynamically…
Enzymes utilize protein architectures to create highly specialized structural motifs that can greatly enhance the rates of complex chemical transformations. Here we use experiments, combined with ab initio simulations that exactly include…
We investigate effects of strong interactions on the electromagnetic dissociation of nuclei in heavy ion collisions. We start from the eikonal approach to the equivalent photon method to describe the electromagnetic contributions to the…
Interpretation of current and future neutrino oscillation and electron scattering experiments requires knowledge of lepton-nucleon and lepton-nucleus interactions at the percent level. We study the exchange of photons between charged…
The modifications of $D_s$-meson spectra in ultrarelativistic heavy-ion collisions are identified as a quantitative probe of key properties of the hot nuclear medium. This is enabled by the unique valence-quark content of the…
The quality of HFB wave functions are tested by comparing the theoretically calculated results with the available experimental data for a number of spectroscopic properties like yrast spectra, reduced B(E2) transition probabilities,…
The extremely low temperatures have limited the availability and accuracy of experimental thermophysical property measurements for cryogens, particularly transport properties. Traditional scaling techniques such as corresponding states…