相关论文: Dynamic structure factor of gold

Using the formalism of the conditional amplitude, we study the response part of the exchange-correlation potential in the strong-coupling limit of density functional theory, analysing its peculiar features and comparing it with the response…

We obtain an exact analytic expression for the dynamical structure factor of one-dimensional quantum gas of hard rods. Our result is valid for arbitrary many-body state of the system, with finite temperature states and the ground state…

Structure factors obtained from diffraction experiments are one of the most important quantities for characterizing the electronic and structural properties of materials. Methods for calculating this quantity from plane-wave density…

Using time-dependent current-density functional theory, we derive analytically the dynamical exchange-correlation correction to the DC conductance of nanoscale junctions. The correction pertains to the conductance calculated in the…

Velocity and density structure factors are measured over a hydrodynamic range of scales in a horizontal quasi-2d fluidized granular experiment, with packing fractions $\phi\in[10%,40%]$. The fluidization is realized by vertically vibrating…

We calculate the "head" element or the (0,0)-element of the wave-vector and frequency-dependent dielectric matrix of bulk crystals via first-principles, all-electron Kohn-Sham states in the integral of the irreducible polarizability in the…

Our ab initio calculations of CO adsorption energies on low miller index (111), (100), stepped (211), and kinked (532) gold surfaces show a strong dependence on local coordination with a reduction in Au atom coordination leading to higher…

Gold-Silver (Au-Ag) core-shell nanostructures are gaining importance in stretchable electronics where high tensile and fatigue resistance is of paramount importance. This work proposes the parameterization of a modified embedded atomic…

We present measurements of the dynamical structure factor $S(q,\omega)$ of an interacting one-dimensional (1D) Fermi gas for small excitation energies. We use the two lowest hyperfine levels of the $^6$Li atom to form a pseudo-spin-1/2…

In this work we compare Monte Carlo (MC) simulations of electron transport properties with reflection electron energy loss measurements in diamond and graphite films. We assess the impact of different approximations of the dielectric…

The atomic structure and physical properties of few-layered <111> oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides are studied using electronic band structure calculations. It was shown that energy…

The debate whether uranium 5f electrons are closer to being localized or itinerant in the ferromagnetic compound UGa2 is not yet fully settled. The experimentally determined magnetic moments are large, approximately 3 Bohr magnetons,…

We present a detailed analysis of hole dynamics in noble metals (Cu and Au), by means of first-principles many-body calculations. While holes in a free-electron gas are known to live shorter than electrons with the same excitation energy,…

We study infrared contributions to the QCD description of the HERA data on the structure function $F_{2}$ within the \textit{generalized} DAS approximation. We argue that this approximation is a natural one and consistent with the…

Magnetized plasmas are well known to exhibit a rich spectrum of collective modes. Here, we focus on the density modes in dense or cold plasmas, where strong coupling effects alter the mode spectrum known from traditional weakly coupled…

The renormalization of the band structure at zero temperature due to electron-phonon coupling is investigated in diamond, BN, LiF and MgO crystals. We implement a dynamical scheme to compute the frequency-dependent self-energy and the…

An expansion of energy characteristics of wide thin slab of thickness L in power of 1/L is constructed using the free-electron approximation and the model of a potential well of finite depth. Accuracy of results in each order of the…

We compute the dynamical charge susceptibility in the two-dimensional Hubbard model within the dynamical cluster approximation. In order to understand the connection between charge susceptibility and pseudogap, we investigate the momentum,…

We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the…

The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…