Related papers: Compact numerical solutions to the two-dimensional…
We present a class of Lie algebraic similarity transformations generated by exponentials of two-body on-site hermitian operators whose Hausdorff series can be summed exactly without truncation. The correlators are defined over the entire…
A unique feature of the hybrid quantum Monte Carlo (HQMC) method is the potential to simulate negative sign free lattice fermion models with subcubic scaling in system size. Here we will revisit the algorithm for various models. We will…
An adaptation of the full configuration interaction quantum Monte Carlo (FCIQMC) method is presented, for correlated electron problems containing heavy elements and the presence of significant relativistic effects. The modified algorithm…
Optical lattice experiments with ultracold fermion atoms and quantum gas microscopy have recently realized direct measurements of magnetic correlations at the site-resolved level. We calculate the short-range spin correlation functions in…
One of the useful and practical methods for solving quantum-mechanical many-body systems is to recast the full problem into a form of the effective interaction acting within a model space of tractable size. Many of the effective-interaction…
We extend the scope of full configuration interaction quantum Monte Carlo (FCIQMC) to be applied to coupled fermion-boson hamiltonians, alleviating the a priori truncation in boson occupation which is necessary for many other wave function…
Based on the standard many-fermion field theory, the authors construct models describing ultracold fermions in a 1D optical lattices by implementing a mode expansion of the fermionic field operator where modes, in addition to space…
Transcorrelated methods provide an efficient way of partially transferring the description of electronic correlations from the ground state wavefunction directly into the underlying Hamiltonian. In particular, Dobrautz et al. [Phys. Rev. B,…
By performing a stochastic dynamic in a space of Slater determinants, the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has been able to obtain energies which are essentially free from systematic error to the basis set…
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…
Quantum phase transitions driven by electronic correlations are central to understanding the physics of graphene and related two-dimensional materials. A paradigmatic example is the semimetal-to-Mott-insulator transition on the honeycomb…
In this paper, we propose a general analysis framework for inexact power iteration, which can be used to efficiently solve high dimensional eigenvalue problems arising from quantum many-body problems. Under the proposed framework, we…
We suggest an efficient method to resolve electronic cusps in electronic structure calculations by using an effective transcorrelated Hamiltonian. This effective Hamiltonian takes a simple form for plane wave bases, containing up to…
The ionic Hubbard model is a paradigmatic setup for studying the competition between band and Mott insulating behavior. Within the variationally exact in infinite dimensions Gutzwiller approximation, we derive a compact analytic expression…
The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is an efficient algorithm for addressing the numerical sign problem at moderate computational cost. It mitigates the sign problem while avoiding the ergodicity issues…
We reanalyze the Hubbard-I approximation by showing that it is equivalent to an effective Hamiltonian describing Fermionic charge fluctuations, which can be solved by Bogoliubov transformation. As the most important correction in the limit…
We investigate the quench of half-filled 1D and 2D fermionic Hubbard models to models without Coulomb interaction. Since the time propagation is gaussian we can use a variety of time-dependent quantum Monte Carlo methods to tackle this…
Model space quantum Monte Carlo (MSQMC) is an extension of full configuration interaction QMC (FCIQMC) that allows us to calculate quasi-degenerate and excited electronic states by sampling the effective Hamiltonian in the model space. We…
We formulate the Hubbard model for the simple cubic lattice in the representation of interacting dimers applying the exact solution of the dimer problem. By eliminating from the considerations unoccupied dimer energy levels in the large U…
This paper introduces a novel ansatz-based technique for solution of the Hubbard model over two length scales. Short range correlations are treated exactly using a dynamical cluster approximation QMC simulation, while longer-length-scale…