Related papers: Accurate Tight-Binding Hamiltonians for 2D and Lay…
We classify Hermitian tight-binding models describing noninteracting electrons on a one-dimensional periodic lattice with two energy bands. To do this, we write a generalized Rice-Mele model with two orbitals per unit cell, including all…
Estimating the overlap between an approximate wavefunction and a target eigenstate of the system Hamiltonian is essential for the efficiency of quantum phase estimation. In this work, we derive upper and lower bounds on this overlap using…
The title material has a quasi-one-dimensional electronic structure and is of considerable interest because it has a metallic phase with properties different from a simple Fermi liquid, a poorly understood "insulating" phase, and a…
The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…
Compact representations of fermionic Hamiltonians are necessary to perform calculations on quantum computers that lack error-correction. A fermionic system is typically defined within a subspace of fixed particle number and spin while…
The development of two-dimensional materials has resulted in a diverse range of novel, high-quality compounds with increasing complexity. A key requirement for a comprehensive quantitative theory is the accurate determination of these…
In a tight binding framework, we analyze the characteristics of electronic states in strongly disordered materials (hopping sites are placed randomly with no local order) with tunneling matrix elements decaying exponentially in the atomic…
A new efficient numerical algorithm for interacting fermion systems is proposed and examined in detail. The ground state is expressed approximately by a linear combination of numerically chosen basis states in a truncated Hilbert space. Two…
Embedding calculations that find approximate solutions to the Schr\"{o}dinger equation for large molecules and realistic solids are performed commonly in a three step procedure involving (i) construction of a model system with effective…
We introduce a family of strongly-correlated spin wave functions on arbitrary spin-1/2 and spin-1 lattices in one and two dimensions. These states are lattice analogues of Moore-Read states of particles at filling fraction 1/q, which are…
We present a method that offers perspectives to perform fully antisymmetrized simulations for inhomogeneous bulk fermion matter. The technique bears resemblance to classical periodic boundary conditions, using localized single-particle…
We propose that we can realize "tight-binding photonic bands" in metallophotonic waveguide networks, where the photonic bound states localized around the crossings of a network form a tight-binding band. The formation of bound states at the…
In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…
Model Hamiltonians are regularly derived from first-principles data to describe correlated matter. However, the standard methods for this contain a number of largely unexplored approximations. For a strongly correlated impurity model…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
We revisit the classical problem of 3D shape interpolation and propose a novel, physically plausible approach based on Hamiltonian dynamics. While most prior work focuses on synthetic input shapes, our formulation is designed to be…
Conventional photoemission orbital tomography based on Fourier iterative method enables us to extract a projected two-dimensional (2D) molecular orbital from a 2D photoelectron momentum map (PMM) of planar $\pi$-conjugated molecules in a…
Cold atom arrays in optical lattices offer a highly tunable platform for exploring complex quantum phenomena that are difficult to realize in conventional materials. Here, we investigate the emergence of controllable long-range quantum…
We consider the behavior of Fermi atoms on optical superlattices with two-well structure of each node. Fermions on such lattices serve as an analog simulator of Fermi type Hamiltonian. We derive a mapping between fermion quantum ordering in…
Topological states of matter, first discovered in quantum systems, have opened new avenues for wave manipulation beyond the quantum realm. In elastic media, realizing these topological effects requires identifying lattices that support the…