相关论文: Conserving quasiparticle calculations for small me…

Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the $GW$ approximation within the framework of the FLAPW method, we study the…

In this work, we review and analyze both the theoretical and numerical aspects of strongly and weakly coupled thermoelastic systems. By employing spectral analysis techniques and establishing uniform resolvent estimates, we derive uniform…

Continuous representations are fundamental for modeling sampled data and performing computations and numerical simulations directly on the model or its elements. To effectively and efficiently address the approximation of point clouds we…

The GW self-energy method has long been recognized as the gold standard for quasiparticle (QP) calculations of solids in spite of the fact that the neglect of vertex corrections and the use of a DFT starting point lacks rigorous…

We investigate the heating of the quasi-free electrons in large rare gas clusters (N exceeding 10^5 atoms) by short laser pulses at moderate intensities (I~10^{15} Wcm^{-2}). We identify elastic large-angle backscattering of electrons at…

Two new QCD sum rules for nucleons in nuclear matter are obtained from a mixed correlator of spin-1/2 and spin-3/2 interpolating fields. These new sum rules, which are insensitive to the poorly known four-quark condensates, provide…

We show that electronic-entropy effects in the size-evolutionary patterns of relatively small (as small as 20 atoms), simple-metal clusters become prominent already at moderate temperatures. Detailed agreement between our…

Considering the increasing number of experimental results in the manufacturing process of quantum dots with different geometries, and the fact that most numerical methods that can be used to investigate quantum dots with non-trivial…

The GW approximation within many-body perturbation theory is the state of the art for computing quasiparticle energies in solids. Typically, Kohn-Sham (KS) eigenvalues and eigenfunctions, obtained from a Density Functional Theory (DFT)…

We report unphysical irregularities and discontinuities in some key experimentally-measurable quantities computed within the GW approximation of many-body perturbation theory applied to molecular systems. In particular, we show that the…

The residual interactions between Laughlin quasiparticles can be obtained from exact numerical diagonalization studies of small systems. The pseudopotentials V_QP(R)$ describing the energy of interaction of QE's (or QH's) as a function of…

In numerous astrophysical scenarios, such as core-collapse supernovae and neutron star mergers, as in well as heavy-ion collision experiments, transitions between thermally populated nuclear excited states have been shown to play an…

In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…

We report a self-consistent quasinormal mode theory for nanometer scale electromagnetism where the possible nonlocal and quantum effects are treated through quantum surface responses. With Feibelman's frequency-dependent \textit{d}…

In this paper we show that the proton-neutron residual interaction can play an important role in the reliability of calculated $\beta$-decay half-lives. It may also improve the prediction power of the quasiparticle random phase…

Local field correction effects on intra-layer inelastic scattering rate of interacting electrons are theoretically investigated in a coupled-quantum-wells structure, at finite temperature. At first, temperature dependent dynamic dielectric…

Galaxy clusters are the most massive gravitationally bound structures in the Universe and key probes of cosmic evolution. The large data volume expected from upcoming surveys requires efficient automated analysis methods for tens of…

Fully self-consistent GW (sc-GW) methods are now available to evaluate quasiparticle and spectral properties of various molecular and bulk systems. However, such techniques based on the full matrix of G and W are computationally demanding.…

In our previous study [Phys. Rev. B 86, 201104 (2012)] we introduced the so called quasi-non-uniform gradient-level exchange-correlation approximation (QNA) and demonstrated it's strength in producing highly accurate equilibrium volumes for…

Numerical calculations of surface and volume plasma excitations in silicon and silicon-hydrogen nanoclusters in the range Si$_{10}$-Si$_{60}$ and Si$_3$H$_8$-Si$_{39}$H$_{40}$ are performed. Some nanocluster structures were obtained using…