Related papers: Finite-temperature coupled cluster: Efficient impl…
We present an implementation of equation of motion coupled-cluster singles and doubles (EOM-CCSD) theory using periodic boundary conditions and a plane wave basis set. Our implementation of EOM-CCSD theory is applied to study $F$-centers in…
A numerical algorithm to calculate exact finite-temperature spectra of many-body lattice Hamiltonians is formulated by combining the typicality approach and the shifted Krylov subspace method. The combined algorithm, which we name…
We utilize numerical linked-cluster expansions (NLCEs) and the determinantal quantum Monte Carlo algorithm to study pairing correlations in the square lattice Hubbard model. To benchmark the NLCE, we first locate the finite-temperature…
The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…
An efficient scheme is introduced for a fast and smooth convergence to the thermodynamic limit with finite size cluster calculations. This is obtained by modifying the energy levels of the non interacting Hamiltonian in a way consistent…
Self-consistent Hartree-Fock approximation combined with solutions of the Bethe-Salpeter equation offers a powerful tool for studies of strong correlation effects arising in condensed matter models, nuclear physics, quantum field theories,…
Simulating strongly-correlated quantum many-body systems at finite temperatures is a significant challenge in computational physics. In this work, we present a scalable finite-temperature tensor network algorithm for two-dimensional quantum…
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 functions of doping, temperature and interaction strength. Through these…
Many frustrated spin models on three-dimensional (3D) lattices are currently being investigated, both experimentally and theoretically, and develop new types of long-range orders in their respective phase diagrams. They present…
We outline how the coupled cluster method of microscopic quantum many-body theory can be utilized in practice to give highly accurate results for the ground-state properties of a wide variety of highly frustrated and strongly correlated…
We study the thermal conductivity of the one-dimensional Fermi-Hubbard model at finite temperature using a density matrix renormalization group approach. The integrability of this model gives rise to ballistic thermal transport. We…
In this paper, a hybrid quasi-static atomistic simulation method at finite temperature is developed, which combines the advantages of MD for thermal equilibrium and atomic-scale finite element method (AFEM) for efficient equilibration. Some…
Simulating liquid water to an accuracy that matches its wealth of available experimental data requires both precise electronic structure methods and reliable sampling of nuclear (quantum) motion. This is challenging because applying the…
A simple three-dimensional model of a fluid whose constituent particles interact via a short range attractive and long range repulsive potential is used to model the aggregation into large spherical-like clusters made up of hundreds of…
Simulations in the warm dense matter regime using finite temperature Kohn-Sham density functional theory (FT-KS-DFT), while frequently used, are computationally expensive due to the partial occupation of a very large number of high-energy…
I review recent progress in numerical simulations of finite temperature quantum chromodynamics and discuss the status of some outstanding problems. Included is (1) a discussion of recent results determining the temperature of the ``phase…
In thermal equilibrium, the fluctuation-dissipation theorem relates the linear response and correlation functions in a model and observable independent fashion. Out of equilibrium, these relations still hold if the equilibrium temperature…
We implement a highly efficient strong-coupling expansion for the Green's function of the Hubbard model. In the limit of extreme correlations, where the onsite interaction is infinite, the evaluation of diagrams simplifies dramatically…
We study the Drude weight $D(T)$ at finite temperatures $T$ of an integrable bosonic model where the particles interact via nearest-neighbour coupling on a chain. At low temperatures, $D(T)$ is shown to be universal in the sense that this…
In this study, we assess the effectiveness and robustness of the recently proposed $T'$-expansion scheme for expanding the equation of state of strongly interacting matter to finite density, by comparing its performance relative to the…