相关论文: Strong Correlations in Actinide Redox Reactions

The electronic structure of vanadium measured by Angular Correlation of electron-positron Annihilation Radiation (ACAR) is compared with the predictions of the combined Density Functional and Dynamical Mean-Field Theory (DMFT).…

In this paper, we discuss the dissociative electron attachment process in Ammonia. Kinetic energy and angular distributions of H^{-} and NH_{2}^{-} fragment anions across the two well known resonances at 5.5 eV and 10.5 eV are reported. The…

In this paper I give a detailed account of an ab initio methodology for describing strong electronic correlations in nanoscale devices hosting transition metal atoms with open $d$- or $f$-shells. The method combines Kohn-Sham Density…

We use AdS/CFT correspondence to study two-particle correlations in heavy ion collisions at strong coupling. Modeling the colliding heavy ions by shock waves on the gravity side, we observe that at early times after the collision there are…

Azimuthal anisotropy ($v_2$) and two-particle angular correlations of high $p_T$ charged hadrons have been measured in Au+Au collisions at $\sqrt{s_{NN}}$=130 GeV for transverse momenta up to 6 GeV/c, where hard processes are expected to…

Mixtures involving nitrobenzene and hydrocarbons, or 1-alkanols and 1-nitroalkane, or nitrobenzene have been investigated based on a whole set of thermophysical properties available in the literature: excess molar functions (enthalpies,…

A theory is developed to study shot noise in superconducting (SAS) and hybrid (SAN) junctions with singly occupied Anderson impurity (A) as a weak link. The zero-frequency DC component of the shot noise spectral density is calculated at…

Methodology is presented for analysis of two-particle azimuthal angle correlation functions obtained in collisions at ultra-relativistic energies. We show that harmonic and di-jet contributions to these correlation functions can be reliably…

Three-particle correlators are relevant for, among others, Raman, Hall and non-linear responses. They are also required for the next order of approximations extending dynamical mean-field theory diagrammatically. We present a general…

Charge ordering is often found in the phase diagram of unconventional superconductors in close proximity to the superconducting state. This has led to the suggestion that fluctuations of charge order can mediate superconducting pairing.…

We present exact results for the dynamical structure function, i.e.~the density-density correlations for the 1/r^2 system of interacting particles at three special values of the coupling constant. The results are interpreted in terms of…

A general reformulation of the exchange energy of $5f$-shell is applied in the analysis of the magnetic structure of various actinides compounds in the framework of LDA+U method. The calculations are performed in an efficient scheme with…

Neutron tagging in Gadolinium-doped water may play a significant role in reducing backgrounds from atmospheric neutrinos in next generation proton-decay searches using megaton-scale Water Cherenkov detectors. Similar techniques might also…

We present a theoretical investigation of reactive and non-reactive collisions of Li and Rb atoms with C$_{2}^{-}$ molecular anions at low temperatures in the context of sympathetic cooling in hybrid trap experiments. Based on recently…

A general technique to investigate charge storage characteristics of conducting polymer films has been developed. A redox reaction is conducted on a polymer film on a rotating disk electrode under potentiostatic condition so that the rate…

The inverse processes of photoionization and electron-ion recombination of (hnu + Ni XXVI --> Ni XXVII + e and (hnu + Ni XXVII --> Ni XXVIII + e) are studied using the unified method for the total recombination. The method subsumes both the…

Kinetics of electrochemical reactions are several orders of magnitude slower in solids than in liquids as a result of the much lower ion diffusivity. Yet, the solid state maximizes the density of redox species, which is at least two orders…

Correlations between the harmonic flow coefficients $v_1$, $v_2$, $v_3$ and $v_4$ of nucleons in semi-peripheral Au+Au collisions at a beam energy of 1.23~AGeV are investigated within the hadronic transport approach Ultra-relativistic…

Efficient discovery of electrocatalysts for electrochemical energy conversion reactions is of utmost importance to combat climate change. With the example of the oxygen reduction reaction we show that by utilising a data-driven discovery…

We demonstrate for the first time a tight binding model for water incorporating polarizable anions. A novel aspect is that we adopt a "ground up" approach in that properties of the monomer and dimer only are fitted. Subsequently we make…