Related papers: Fractional spins and static correlation error in d…
The block entanglement entropy and fluctuations are investigated in one dimension in finite size correlated electron systems using the Gutzwiller wave function as a prototype correlated electron state. Entanglement entropy shows logarithmic…
Within Current Density Functional Theory, we have studied a quantum dot made of 210 electrons confined in a disk geometry. The ground state of this large dot exhibits some features as a function of the magnetic field (B) that can be…
Fracton topological order hosts fractionalized point-like excitations (e.g., fractons) that have restricted mobility. In this article, we explore even more bizarre realization of fracton phases that admit spatially extended excitations with…
The exact expression for the density matrix of the kink ground state of the ferromagnetic XXZ chain is obtained. Utilizing this, we exactly calculate various correlation functions such as the longitudinal and transverse spin-spin…
We perform variational Monte-Carlo calculations to show that bosons in a rotating optical lattice will form analogs of fractional quantum Hall states when the tunneling is sufficiently weak compared to the interactions and the deviation of…
Motivated by the controversy between quantum chemists and solid-state physicists, and by recent experimental results, spin-polarized density-functional (DFT) calculations are used to probe electron correlation in the Si(100) reconstructed…
We develop a new density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wavefunction which obeys exactly the Gutzwiller approximation for…
Composite structure of particles somewhat modifies their statistics, compared to the pure Bose- or Fermi-ones. The spin-statistics theorem, so, is not valid anymore. Say, $\pi$-mesons, excitons, Cooper pairs are not ideal bosons, and,…
We discuss stochastic resonance-like effects in the context of coupled quantum spin systems. We focus here on an information-theoretic approach and analyze the steady state quantum correlations (entanglement) as well as the global…
The exact form of the kinetic energy functional has remained elusive in orbital-free models of density functional theory (DFT). This has been the main stumbling block for the development of a general-purpose framework on this basis. Here,…
Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and in particular, according to the Hellmann-Feynman theorem, atomic forces.…
Spin ice systems display a variety of very nontrivial properties, the most striking being the existence in them of magnetic monopoles. Such monopole states can also have nontrivial electric properties: there exist electric dipoles attached…
Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…
The description of interacting many-electron systems in external magnetic fields is considered in the framework of the optimized effective potential method extended to current-spin-density functional theory. As a case study, a…
Complexity in strongly correlated electron systems is analyzed by considering decoherence process between the localized state, |L> and the itinerant state, |I>. The coherent superposition state of a|I> + b|L> decoheres to the pointer states…
Many-electron systems confined to a quasi-1D geometry by a cylindrical distribution of positive charge have been investigated by density functional computations in the unrestricted local spin density approximation. Our investigations have…
The interplay between spin and charge degrees of freedom arising from doping a Mott insulating quantum spin liquid (QSL) has been a topic of research for several decades. Calculating properties of these fractionalized metallic states in…
The ground-state electron density of a one-dimensional spin-orbit coupled quantum dot with a Zeeman term and strong electron interaction is studied at the fractional helical liquid points. We show that at fractional filling factors…
Magnetic structures of organic Mott insulators X[Pd(dmit)2]2 (X=Me4P, Me4Sb), of which electronic states are located near quantum spin liquid (X=EtMe3Sb), are demonstrated by 13C NMR. Antiferromagnetic spectra and nuclear relaxations show…
We present a practical approach to treat static and dynamical correlation accurately in large multi-configurational systems. The static correlation is accounted for using the spin-flip approach which is well known for capturing static…