Showing 1–20 of 34 results
/ Date/ Name
May 11, 2023Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to find gradients of noisy dataFeb 10, 2023How the exchange energy can affect the power laws used to extrapolate the coupled cluster correlation energy to the thermodynamic limitFeb 22, 2012Convergence of many-body wavefunction expansions using a plane wave basis: from the homogeneous electron gas to the solid stateJun 9, 2019Fully quantum embedding with density functional theory for full configuration interaction quantum Monte CarloJul 22, 2020Power laws used to extrapolate the coupled cluster correlation energy to the thermodynamic limitFeb 16, 2016Accurate exchange-correlation energies for the warm dense electron gasJul 24, 2013Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansionsJul 21, 2014Open-source development experiences in scientific software: the HANDE quantum Monte Carlo projectJun 9, 2015Interaction Picture Density Matrix Quantum Monte CarloJun 16, 2008Structural trends in clusters of quadrupolar spheresJun 26, 2020NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methodsSep 18, 2012Emergence of Critical Phenomena in Full Configuration Interaction Quantum Monte CarloNov 14, 2025Van-der-Waals exchange-correlation functionals and their high pressure and warm dense matter applicationsJan 23, 2012Investigation of the Full Configuration Interaction Quantum Monte Carlo Method Using Homogeneous Electron Gas ModelsNov 28, 2018The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state upJan 29, 2021The sign problem in density matrix quantum Monte CarloMar 10, 2021Effective Hamiltonians for the study of real metals using quantum chemical theoriesMar 31, 2022Machine learning for a finite size correction in periodic coupled cluster theory calculationsOct 22, 2013Many-body quantum chemistry for the electron gas: convergent perturbative theoriesJun 11, 2019An optimized twist angle to find the twist-averaged correlation energy applied to the uniform electron gas