2016/06/30 by Ettore Vitali, Hao Shi, Mingpu Qin +1
Mathematics · Physics and Astronomy · #Advanced Condensed Matter Physics #Algorithm #Computation #Computer science #Fermion #Field (mathematics) #Hybrid Monte Carlo #Markov chain Monte Carlo #Mathematics #Monte Carlo method #Monte Carlo method in statistical physics #Monte Carlo molecular modeling #Physics #Physics of Superconductivity and Magnetism #Quantum #Quantum Monte Carlo #Quantum computer #Quantum mechanics #Rare-earth and actinide compounds #Statistical physics #Statistics #cond-mat.quant-gas #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.94.085140
published as Phys. Rev. B 94, 085140 (2016) · Published version. 13 pages, 11 figures
arxiv created 2016/08/23 · openalex publication_date 2016/08/23 · arxiv updated 2016/08/24 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
Quantum Monte Carlo simulations provide a powerful tool to compute static properties of quantum many-particles models and realistic systems. A vast array of ground-state energies and properties defined by equal-time correlation functions can be computed with high accuracy. On the other hand, the extensions needed to study time-displaced correlation functions, which provide access to excited states, have been challenging, especially for fermionic strongly correlated systems. The authors present a methodology that allows a high-accuracy calculation of the dynamical Green functions of many-fermions systems in the framework of the auxiliary-field quantum Monte Carlo method. They extract the the charge gap of the repulsive two-dimensional Hubbard model at half-filling as a function of the interaction strength and propose strategies for applying their methodology to more realistic systems.