Emerging quantum computing algorithms for quantum chemistry

M Motta, JE Rice - Wiley Interdisciplinary Reviews …, 2022 - Wiley Online Library
Digital quantum computers provide a computational framework for solving the Schrödinger
equation for a variety of many‐particle systems. Quantum computing algorithms for the …

Pseudo-fermion functional renormalization group for spin models

T Müller, D Kiese, N Niggemann… - Reports on Progress …, 2024 - iopscience.iop.org
For decades, frustrated quantum magnets have been a seed for scientific progress and
innovation in condensed matter. As much as the numerical tools for low-dimensional …

Solutions of the two-dimensional Hubbard model: benchmarks and results from a wide range of numerical algorithms

JPF LeBlanc, AE Antipov, F Becca, IW Bulik, GKL Chan… - Physical Review X, 2015 - APS
Numerical results for ground-state and excited-state properties (energies, double
occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a …

Towards the solution of the many-electron problem in real materials: Equation of state of the hydrogen chain with state-of-the-art many-body methods

M Motta, DM Ceperley, GKL Chan, JA Gomez, E Gull… - Physical Review X, 2017 - APS
We present numerical results for the equation of state of an infinite chain of hydrogen atoms.
A variety of modern many-body methods are employed, with exhaustive cross-checks and …

Nonexistence of the Luttinger-Ward functional and misleading convergence of skeleton diagrammatic series for Hubbard-like models

E Kozik, M Ferrero, A Georges - Physical review letters, 2015 - APS
The Luttinger-Ward functional Φ [G], which expresses the thermodynamic grand potential in
terms of the interacting single-particle Green's function G, is found to be ill defined for …

Determinant diagrammatic Monte Carlo algorithm in the thermodynamic limit

R Rossi - Physical review letters, 2017 - APS
We present a simple trick that allows us to consider the sum of all connected Feynman
diagrams at fixed position of interaction vertices for general fermionic models, such that the …

Exponential thermal tensor network approach for quantum lattice models

BB Chen, L Chen, Z Chen, W Li, A Weichselbaum - Physical Review X, 2018 - APS
We speed up thermal simulations of quantum many-body systems in both one-(1D) and two-
dimensional (2D) models in an exponential way by iteratively projecting the thermal density …

Two-dimensional Hubbard model at finite temperature: Weak, strong, and long correlation regimes

FŠ Iv, R Rossi, M Ferrero - Physical Review Research, 2022 - APS
We investigate the momentum-resolved spin and charge susceptibilities, as well as the
chemical potential and double occupancy in the two-dimensional Hubbard model as …

Reconstructing nonequilibrium regimes of quantum many-body systems from the analytical structure of perturbative expansions

C Bertrand, S Florens, O Parcollet, X Waintal - Physical Review X, 2019 - APS
We propose a systematic approach to the nonequilibrium dynamics of strongly interacting
many-body quantum systems, building upon the standard perturbative expansion in the …

Resummation of diagrammatic series with zero convergence radius for strongly correlated fermions

R Rossi, T Ohgoe, K Van Houcke, F Werner - Physical Review Letters, 2018 - APS
We demonstrate that a summing up series of Feynman diagrams can yield unbiased
accurate results for strongly correlated fermions even when the convergence radius …