Related papers: An efficient and accurate decomposition of the Fer…
We model $p$-state Fock parafermions on a lattice in one dimension (with occupation per orbital of $0,1 , \ldots ,p-1$). For $p$ a composite number, they may be mapped to $q_m$-state parafermions where $q_m$ are the prime factors of $p$.…
We present several finite-temperature recursive Fermi-operator expansion schemes based on the second-order spectral projection (SP2) method. Our approach builds on a previous observation that the electronic structure problem, as formulated…
The limits of direct unitary transformation of many-fermion Hamiltonians are explored. Practical application of such transformations requires that effective many-body interactions be discarded over the course of a calculation. The…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
We present an efficient linear-scaling algorithm for evaluating the analytical force and stress contributions derived from the exact-exchange energy, a key component in hybrid functional calculations. The algorithm, working equally well for…
Free fermions in disguise (FFD) Hamiltonians describe spin chains which can be mapped to free fermions, but not via a Jordan-Wigner transformation. Although the mapping gives access to the full Hamiltonian spectrum, the computation of spin…
We study the entanglement Hamiltonian for free-fermion chains with a particular form of inhomogeneity. The hopping amplitudes and chemical potentials are chosen such that the single-particle eigenstates are related to discrete orthogonal…
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…
The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations,…
We present optimized tight-binding models with atomic orbitals to improve \textit{ab initio} tight-binding models constructed by truncating full density functional theory (DFT) Hamiltonian based on localized orbitals. Retaining qualitative…
Linear-scaling electronic structure methods based on the calculation of moments of the underlying electronic Hamiltonian offer a computationally efficient and numerically robust scheme to drive large-scale atomistic simulations, in which…
We present a novel graph-theoretic approach to simplifying generic many-body Hamiltonians. Our primary result introduces a recursive twin-collapse algorithm, leveraging the identification and elimination of symmetric vertex pairs (twins),…
Diagonalizing a Hamiltonian, which is essential for simulating its long-time dynamics, is a key primitive in quantum computing and has been proven to yield a quantum advantage for several specific families of Hamiltonians. Yet, despite its…
We use the well-known observation that the solutions of Jacobi's differential equation can be represented via non-oscillatory phase and amplitude functions to develop a fast algorithm for computing multi-dimensional Jacobi polynomial…
We develop a Hamiltonian formalism for simulating interacting chiral fermions on the lattice while preserving unitarity and locality and without breaking the chiral symmetry. The fermion doubling problem is circumvented by constructing a…
We study an exactly solvable quantum field theory (QFT) model describing interacting fermions in 2+1 dimensions. This model is motivated by physical arguments suggesting that it provides an effective description of spinless fermions on a…
Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which…
Basically (2 + 1) dimensional Dirac equation with real deformed Lorentz scalar potential is investi gated in this study. The position dependent Fermi velocity function transforms Dirac Hamiltonian into a Klein-Gordon-like effective…
Effective field theory (EFT) methods for a uniform system of fermions with short-range, natural interactions are extended to include pairing correlations, as part of a program to develop a systematic Kohn-Sham density functional theory…
Based on the canonical Lang-Firsov transformation of the Hamiltonian we develop a very efficient quantum Monte Carlo algorithm for the Holstein model with one electron. Separation of the fermionic degrees of freedom by a reweighting of the…