Related papers: Configuration interaction projected density functi…
We investigate an extension of excited state mean-field theory in which the energy expression is augmented with density functional components in an effort to include the effects of weak electron correlations. The approach remains…
We present a systematic investigation of all sixteen marginally relevant fermion-fermion interactions in two-dimensional time-reversal symmetry-breaking kagom\'{e} semimetals hosting a quadratic band crossing point. Employing a…
The asymptotic behavior of the integrated density of states for a randomly perturbed lattice at the infimum of the spectrum is investigated. The leading term is determined when the decay of the single site potential is slow. The leading…
In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as occurs, for example, in bond-breaking processes. Such…
An order--disorder phase transition is observed for Ising-like systems even for arbitrarily chosen probabilities of spins flips [K. Malarz et al, Int. J. Mod. Phys. C 22, 719 (2011)]. For such athermal dynamics one must define $(z+1)$ spin…
We predict a gigantically long lifetime of the first excited state of an interstitial lithium donor in silicon. The nature of this effect roots in the anomalous level structure of the {\em 1s} Li manifold under external stress. Namely, the…
Cut-and-project from a symmetric structure in a higher-dimensional space is a standard method for describing the structure of a large class of quasicrystals. By means of a novel localization procedure, we now show how local physical…
Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…
We use spin-density-functional theory to study the spacing between conductance peaks and the ground-state spin of 2D model quantum dots with up to 200 electrons. Distributions for different ranges of electron number are obtained in both…
A Falicov-Kimball model which thermodynamically reduces the local Coulomb interaction of particles to attraction or repulsion is studied within the dynamical mean-field theory. In the strong interaction regime a fractionalization of…
The ab initio quasirelativistic Hartree-Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions is used to derive transition data for multicharged tungsten ion. The configuration…
The study of hard-particle packings is of fundamental importance in physics, chemistry, cell biology, and discrete geometry. Much of the previous work on hard-particle packings concerns their densest possible arrangements. By contrast, we…
There has been an enduring interest and controversy about whether or not one can define physically meaningful energy density and stress fields, $e(\bf{r})$ and $\sigma_{\alpha \beta}(\bf{r})$, since the two forms of the kinetic energy,…
For temporal magnitudes describing, in details, processes of particles scattering for a long time at each necessity case a particular, ad hoc reception were used. However the desirability of general approach basing on concepts of quantum…
To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The…
The backbending phenomenon in $^{48}$Cr has been investigated using the recently developed Projected Configuration Interaction (PCI) method, in which the deformed intrinsic states are directly associated with shell model (SM) wavefunctions.…
Deterministic quasiperiodicity in quantum systems has long been associated with localization, criticality, or glassy behavior, and has therefore been believed to suppress long-range order rather than stabilize it. Here we demonstrate the…
Inertial microfluidics has been limited to dilute particle concentrations due to defocusing (spreading out) at high particle concentrations. We observe a counterintuitive shift of focusing to the outer curved wall under high concentration…
We consider a 2D electron system on a square lattice with hopping beyond nearest neighbors. The existence of the quantum critical point associated with an electronic topological transition in the noninteracting system results in density…
The PlasmaKristall-4 experiment on the International Space Station allows for the study of the 3-dimensional interaction between plasma and dust particles. Previous simulations of the PK-4 environment have discovered fast moving ionization…