Related papers: Better Band Gaps with Asymptotically Corrected Loc…
With the help of von Neumann entropy, we study numerically the localization properties of two interacting particles (TIP) with on-site interactions in one-dimensional disordered, quasiperiodic, and slowly varying potential systems,…
We present a computational framework for two-scale asymptotic homogenization to determine the intrinsic magnetic permeability of composites. To this end, considering linear magnetostatics, both vector and scalar potential formulations are…
We present a generalization of the spin-fluctuation theory of magnetism which allows us to treat the full rotational invariance of the exchange interaction. The approach is formulated in terms of the local density approximation plus…
We compute and track the impact of truly nonlocal-correlation effects on the quasi-particle (QP) band-structure of hexagonal boron-nitride (h-BN) systems. To that end, we start with the consistent-exchange vdW-DF-cx version [PRB 89, 035412…
We present a polarization and topology resolved study of the low energy band structure in optimally doped superconducting Ba0.6K0.4Fe2As2 using angle resolved photoemission spectroscopy. Polarization-contrasted measurements allow us to…
A classical coulombic correlation functional in one-loop (1L) and local-density-approximation (LDA) is derived for electrolyte solutions, starting from a first-principles many-body partition function. The 1L-LDA functional captures…
The time-dependent local-density approximation (TDLDA) is shown to remain accurate in describing the atomic response of IB elements under the additional approximation of using pseudopotentials to treat the effects of core electrons. This…
In all applications of Density Functional Theory there is always a degree of one-electron self-interaction error (SIE). Here, we propose a simple self-interaction correction by applying an effective core potential (ECP) that replaces no…
We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius $\rs$ and a two-electron hole curvature parameter $\eta$ at each…
The modern semilocal exchange potential is an accurate and efficient approximation to the exact exchange potential of density functional theory. We tried to combine it with the dynamical mean-field theory to derive a new first-principles…
The existence of magnetized turbulence in the interstellar HI is well accepted. A number of techniques to obtain turbulence spectrum and magnetic field direction and strength have been developed and successfully applied to HI spectroscopic…
The value of the $b$-baryon polarization can be extracted from inclusive data at LEP with better than 10\% precision based on current statistics. We present a new variable by which to measure the polarization, which is the ratio of the…
In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the total energy with respect to the occupation numbers at half…
We measured the local density of states (LDOS) of a quasi two-dimensional (2D) electron system near point defects on a surface of highly oriented pyrolytic graphite (HOPG) with scanning tunneling microscopy and spectroscopy. Differential…
Combining the density functional theory (DFT) and the Gutzwiller variational approach, a LDA+Gutzwiller method is developed to treat the correlated electron systems from {\it ab-initio}. All variational parameters are self-consistently…
We calculate complete basis set (CBS) limit extrapolated ionization potentials (IP) and electron affinities (EA) with Slater Type Basis sets for the molecules in the GW100 database. To this end, we present two new Slater Type orbital (STO)…
We analyze extant data of Al++, Al+ and other low ions with the aim of studying the ionization properties of Damped Ly alpha systems (DLAs) from the analysis of the ratio R(Al++/Al+) = N(Al++)/N(Al+). We find good correlations…
The Einstein Equivalence Principle has as one of its implications that the non-gravitational laws of physics are those of special relativity in any local freely-falling frame. We consider possible tests of this hypothesis for systems whose…
This paper demonstrates that, in both theory and practice, the latent optimally partitioned (LOP)-$\ell_2/\ell_1$ penalty is effective for exploiting block-sparsity without knowledge of the concrete block structure. More precisely, we first…
In future collider experiments at the TeV scale, large logarithmic corrections originating from massive boson exchange can lead to significant corrections to observable cross sections. Recently double logarithms of the Sudakov-type were…