Spectral functions and optical conductivity of spinless fermions on a checkerboard lattice

We study the dynamical properties of spinless fermions on the checkerboard lattice. Our main interest is the limit of large nearest-neighbor repulsion $V$ as compared with hopping $|t|$. The spectral functions show broad low-energy excitation which are due to the dynamics of fractionally charged excitations. Furthermore, it is shown that the fractional charges contribute to the electrical current density.Comment: 9 Pages, 9 Figure

Charge degrees in the quarter-filled checkerboard lattice

For a systematic study of charge degrees of freedom in lattices with geometric frustration, we consider spinless fermions on the checkerboard lattice with nearest-neighbor hopping $t$ and nearest-neighbor repulsion $V$ at quarter-filling. An effective Hamiltonian for the limit $|t|\ll V$ is given to lowest non-vanishing order by the ring exchange ($\sim t^{3}/V^{2}$). We show that the system can equivalently be described by hard-core bosons and map the model to a confining U(1) lattice gauge theory.Comment: Proceedings of ICM200

Towards a quantum-chemical description of crystalline insulators: A Wannier-function-based Hartree-Fock study of Li2O and Na2O

A recently proposed approach for performing electronic-structure calculations on crystalline insulators in terms of localized orthogonal orbitals is applied to the oxides of lithium and sodium, Li2O and Na2O. Cohesive energies, lattice constants and bulk moduli of the aforementioned systems are determined at the Hartree-Fock level, and the corresponding values are shown to be in excellent agreement with the values obtained by a traditional Bloch-orbital-based Hartree-Fock approach. The present Wannier-function-based approach is expected to be advantageous in the treatment of electron-correlation effects in an infinite solid by conventional quantum-chemical methods.Comment: 15 Pages, RevTex, 3 postscript figures (included), to appear in the Journal of Chemical Physics, May 15, 199

An Attempt to Calculate Energy Eigenvalues in Quantum Systems of Large Sizes

We report an attempt to calculate energy eigenvalues of large quantum systems by the diagonalization of an effectively truncated Hamiltonian matrix. For this purpose we employ a specific way to systematically make a set of orthogonal states from a trial wavefunction and the Hamiltonian. In comparison with the Lanczos method, which is quite powerful if the size of the system is within the memory capacity of computers, our method requires much less memory resources at the cost of the extreme accuracy. In this paper we demonstrate that our method works well in the systems of one-dimensional frustrated spins up to 48 sites, of bosons on a chain up to 32 sites and of fermions on a ladder up to 28 sites. We will see this method enables us to study eigenvalues of these quantum systems within reasonable accuracy.Comment: 17pages, 4figures(eps-files

A quantum liquid with deconfined fractional excitations in three dimensions

Excitations which carry "fractional" quantum numbers are known to exist in one dimension in polyacetylene, and in two dimensions, in the fractional quantum Hall effect. Fractional excitations have also been invoked to explain the breakdown of the conventional theory of metals in a wide range of three-dimensional materials. However the existence of fractional excitations in three dimensions remains highly controversial. In this Letter we report direct numerical evidence for the existence of a quantum liquid phase supporting fractional excitations in a concrete, three-dimensional microscopic model - the quantum dimer model on a diamond lattice. We demonstrate explicitly that the energy cost of separating fractional monomer excitations vanishes in this liquid phase, and that its energy spectrum matches that of the Coulomb phase in (3+1) dimensional quantum electrodynamics.Comment: 4 pages, 4 figures; revised version, new figures; accepted for publication in Physical Review Letter

Fast computation of the Kohn-Sham susceptibility of large systems

For hybrid systems, such as molecules grafted onto solid surfaces, the calculation of linear response in time dependent density functional theory is slowed down by the need to calculate, in N^4 operations, the susceptibility of N non interacting Kohn-Sham reference electrons. We show how this susceptibility can be calculated N times faster within finite precision. By itself or in combination with previous methods, this should facilitate the calculation of TDDFT response and optical spectra of hybrid systems.Comment: submitted 25/1/200

Fermionic quantum dimer and fully-packed loop models on the square lattice

We consider fermionic fully-packed loop and quantum dimer models which serve as effective low-energy models for strongly correlated fermions on a checkerboard lattice at half and quarter filling, respectively. We identify a large number of fluctuationless states specific to each case, due to the fermionic statistics. We discuss the symmetries and conserved quantities of the system and show that for a class of fluctuating states in the half-filling case, the fermionic sign problem can be gauged away. This claim is supported by numerical evaluation of the low-lying states and can be understood by means of an algebraic construction. The elimination of the sign problem then allows us to analyze excitations at the Rokhsar-Kivelson point of the models using the relation to the height model and its excitations, within the single-mode approximation. We then discuss a mapping to a U(1) lattice gauge theory which relates the considered low-energy model to the compact quantum electrodynamics in 2+1 dimensions. Furthermore, we point out consequences and open questions in the light of these results.Comment: 12 pages, 9 figure

Spin Waves in Quantum Antiferromagnets

Using a self-consistent mean-field theory for the $S=1/2$ Heisenberg antiferromagnet Kr\"uger and Schuck recently derived an analytic expression for the dispersion. It is exact in one dimension ($d=1$) and agrees well with numerical results in $d=2$. With an expansion in powers of the inverse coordination number $1/Z$ ($Z=2d$) we investigate if this expression can be {\em exact} for all $d$. The projection method of Mori-Zwanzig is used for the {\em dynamical} spin susceptibility. We find that the expression of Kr\"uger and Schuck deviates in order $1/Z^2$ from our rigorous result. Our method is generalised to arbitrary spin $S$ and to models with easy-axis anisotropy \D. It can be systematically improved to higher orders in $1/Z$. We clarify its relation to the $1/S$ expansion.Comment: 8 pages, uuencoded compressed PS-file, accepted as Euro. Phys. Lette

Detection of Striped Superconductors Using Magnetic Field Modulated Josephson Effect

In a very interesting recent Letter\cite{berg}, the authors suggested that a novel form of superconducting state is realized in La$_{2-x}$Ba$_x$CuO$_4$ with $x$ close to 1/8. This suggestion was based on experiments\cite{li} on this compound which found predominantly two-dimensional (2D) characters of the superconducting state, with extremely weak interplane coupling. Later this specific form of superconducting state was termed striped superconductors\cite{berg08}. The purpose of this note is to point out that the suggested form\cite{berg} of the superconducting order parameter can be detected directly using magnetic field modulated Josephson effect.Comment: Expanded version as appeared in prin