Showing 1–20 of 46 results
/ Date/ Name
Feb 6, 2009Controlling the gap of fullerene microcrystals by applying pressure: the role of many-body effectsJun 24, 2009Systematic reduction of sign errors in many-body problems: generalization of self-healing diffusion Monte Carlo to excited statesJul 19, 2010Many-body calculations of low-energy eigenstates in magnetic and periodic systems with self-healing diffusion Monte Carlo: steps beyond the fixed-phaseSep 18, 2013Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: a path for the optimization of low-energy many-body basesDec 18, 2009Systematic reduction of sign errors in many-body calculations of atoms and moleculesAug 26, 2008Self-healing diffusion quantum Monte Carlo algorithms: methods for direct reduction of the fermion sign error in electronic structure calculationsAug 30, 2013Superconducting instability of a non-magnetic metallic band in an antiferromagnetic backgroundMar 18, 2022Correlative nanoscale imaging of strained hBN spin defectsApr 1, 2014Magnetic states of the five-orbital Hubbard model for one-dimensional iron-based superconductorsMar 24, 2008Density-density functionals and effective potentials in many-body electronic structure calculationsMay 16, 2023Procedures for assessing the stability of proposed topological materialsDec 30, 2010Simple Impurity Embedded in a Spherical Jellium: Approximations of Density Functional Theory compared to Quantum Monte Carlo BenchmarksSep 20, 2013Ground state and Spin-Wave dynamics in Brownmillerite SrCoO2.5, A combined Hybrid Functional and LSDAU studyJun 12, 2014Structural Stability and Defect Energetics of ZnO from Diffusion Quantum Monte CarloMar 4, 2008Neutral and charged excitations in carbon fullerenes from first-principles many-body theoriesFeb 21, 2008Optical spectra and exchange-correlation effects in molecular crystalsMay 17, 2009Many-body electronic structure and Kondo properties of cobalt-porphyrin moleculesOct 12, 2023Locality Error Free Effective Core Potentials for 3d Transition Metal Elements Developed for the Diffusion Monte Carlo MethodNov 22, 2021Candidate structure for the H$_2$-PRE phase of solid hydrogenNov 24, 2021Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs