Related papers: Variational tight-binding method for simulating la…
This paper presents an efficient method for detecting entanglement in high-dimensional two-qudit states by mapping the Hilbert space onto the space of two qubits. This transformation enables the use of well-established two-qubit…
We have derived new boundary conditions on wave function at the normal metal / superconductor (NS) interface beyond effective mass approximation. These conditions are based on tight-binding approach and enable one to formulate quantitative…
We derive an {\em ab initio} $\pi$-band tight-binding model for $AB$ stacked bilayer graphene based on maximally localized Wannier wave functions (MLWFs) centered on the carbon sites, finding that both intralayer and interlayer hopping is…
Topological materials exhibit protected edge modes that have been proposed for applications in for example spintronics and quantum computation. While a number of such systems exist, it would be desirable to be able to test theoretical…
We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the unitary coupled cluster (UCC) theory to describe crystals in…
By revisiting the path-integral formulation of the Hubbard model, we propose a theoretical approach based on a semiclassical approximation employing an unconventional coherent-state representation. Within this framework, a subset of the…
Two-dimensional superconductivity has become a major frontier in condensed matter physics. It holds the key to the mechanism of high-temperature superconductors and offers an exceptional arena to stabilize emergent quantum states enabled by…
We have developed the tight-binding theory to study electronic and optical properties of type-II heterostructures CA/C'A' grown from the zinc-blende semiconductors CA and C'A' along the crystallographic direction [001]. The sp^3s*…
We construct explicit examples of microscopic models that stabilize a variety of fractionalized phases of strongly correlated systems in spatial dimension bigger than one, and in zero external magnetic field. These include models of charge…
Ultra-precision machining of metals, the breaking of nanowires under tensile stress and fracture of nanoscale materials are examples of technologically important processes which are both extremely difficult and costly to investigate…
Analog quantum simulators can be used to study quantum correlation in novel many-body systems by emulating the Hamiltonian of these systems. One essential question in quantum simulation is to probe the properties of an emulated many-body…
We examine the circuit complexity of coherent states in a free scalar field theory, applying Nielsen's geometric approach as in [1]. The complexity of the coherent states have the same UV divergences as the vacuum state complexity and so we…
Computing excitation spectra of quantum many-body systems is a promising avenue to demonstrate the practical utility of current noisy quantum devices, especially as we move toward the ``megaquop'' regime. For this task, here we introduce a…
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…
We report on microscopic tight-binding modeling of surface states in Bi$_2$Se$_3$ three-dimensional topological insulator, based on a sp$^3$ Slater-Koster Hamiltonian, with parameters calculated from density functional theory. The effect of…
A new method for calculating the total energy of Si systems is presented. The method is based on the effective-medium theory concept of a reference system. Instead of calculating the energy of an atom in the system of interest a reference…
We investigate the localization of low-energy single quasi-particle states in the 7/9-hybrid nanoribbon system in the presence of strong interactions and within a finite volume. We consider two scenarios, the first being the Hubbard model…
We generalize the quantum waveguide approach to H\"uckel or tight-binding models relevant to unsaturated $\p$ molecular devices. A Landauer-like formula for the current density through {\em internal} bonds is also derived which allows for…
We extend the rotationally invariant formulation of the slave-boson method to superconducting states. This generalization, building on the recent work by Lechermann et al. [Phys. Rev. B {\bf 76}, 155102 (2007)], allows to study…
For robust testing of new technologies used in future, intelligent power and energy systems, realistic testing environments are needed. Due to the dimensions of a real-world environment a field-based installation is often not viable. More…