Related papers: Accurate Tight-Binding Hamiltonians for 2D and Lay…
We propose a hybrid quantum-classical algorithm to compute approximate solutions of binary combinatorial problems. We employ a shallow-depth quantum circuit to implement a unitary and Hermitian operator that block-encodes the weighted…
An algebraic procedure to find extremal density matrices for any Hamiltonian of a qudit system is established. The extremal density matrices for pure states provide a complete description of the system, that is, the energy spectra of the…
We recently proposed quantum simulators of "twistronic-like" physics based on ultracold atoms and syntheticdimensions [Phys. Rev. Lett. 125, 030504 (2020)]. Conceptually, the scheme is based on the idea that aphysical monolayer optical…
Recently, synthetic spin-orbit coupling has been introduced into cold-atom systems for more flexible control of the Hamiltonian, which was further made time-varying through two-photon detuning to achieve dynamic control of the cold-atom…
Magic-angle ($\theta=1.05^\circ$) twisted bilayer graphene (MATBG) has shown two seemingly contradictory characters: the localization and quantum-dot-like behavior in STM experiments, and delocalization in transport experiments. We…
Harrison's tight-binding theory provides an excellent qualitative description of the electronic structure of the elements across the periodic table. However, the resulting band structures are in significant disagreement with those found by…
The nature of delocalization in a 1D system ruled by a tight-binding Hamiltonian is investigated. Using a local evaluation of the ground state energy, it is shown that the range of the delocalization effects is rather limited. The method is…
Strategies to model the inspiral, merger and ringdown gravitational waveform of coalescing binaries are restricted in parameter space by the coverage of available numerical-relativity simulations. When more numerical waveforms become…
In this paper we propose a Hamiltonian approach to gapped topological phases on an open surface with boundary. Our setting is an extension of the Levin-Wen model to a 2d graph on the open surface, whose boundary is part of the graph. We…
Motivated by the recent theoretical studies on a two-dimensional (2D) chiral Hamiltonian based on the Su-Schrieffer-Heeger chains, we experimentally and computationally demonstrate that topological flat frequency bands can occur at open…
We present a perturbative method for ab initio calculations of rotational and rovibrational effective Hamiltonians of both rigid and non-rigid molecules. Our approach is based on a curvilinear implementation of second order vibrational…
The identification of parameters in the Hamiltonian that describes complex many-body quantum systems is generally a very hard task. Recent attention has focused on such problems of Hamiltonian tomography for networks constructed with…
Extracting Hamiltonian parameters from available experimental data is a challenge in quantum materials. In particular, real-space spectroscopy methods such as scanning tunneling spectroscopy allow probing electronic states with atomic…
We describe an efficient quantum embedding framework for realistic ab initio density matrix embedding (DMET) calculations in solids. We discuss in detail the choice of orbitals and mapping to a lattice, treatment of the virtual space and…
A key objective of computational solid state physics is to predict electronic properties of periodic materials. However, electronic structure simulations based on density functional theory fail to predict experimental results if…
Simulating electronic behavior in materials and devices with realistic large system sizes remains a formidable task within the $ab$ $initio$ framework due to its computational intensity. Here we show DeePTB, an efficient deep learning-based…
Topological behavior has been observed in quantum systems including ultracold atoms. However, background harmonic traps for cold-atoms hinder direct detection of topological edge states arising at the boundary because the distortion fuses…
We study the role of hopping matrix elements of the position operator $\mathbf{\hat{r}}$ in tight-binding calculations of linear and nonlinear optical properties of solids. Our analysis relies on a Wannier-interpolation scheme based on…
We develop strong-coupling series expansion methods to study two-particle spectra of quantum lattice models. At the heart of the method lies the calculation of an effective Hamiltonian in the two-particle subspace. We explicitly consider an…
Hexagonal optical lattices offer a tunable platform to study exotic orbital physics in solid state materials. Here, we present a versatile high-precision scheme to implement a hexagonal optical lattice potential, which is engineered by…