Related papers: Basis set incompleteness errors in fixed-node diff…
The paper presents error estimates within a unified abstract framework for the analysis of FEM for boundary value problems with linear diffusion-convection-reaction equations and boundary conditions of mixed type. Since neither conformity…
Composite fermions provide a simple and unified picture to understand a vast amount of phenomenology in the quantum Hall regime. However it has remained challenging to formulate this concept properly within a single Landau level. Recently a…
In this work we present a detailed study of the Fermion Monte Carlo algorithm (FMC), a recently proposed stochastic method for calculating fermionic ground-state energies [M.H. Kalos and F. Pederiva, Phys. Rev. Lett. vol. 85, 3547 (2000)].…
Diffusion Monte Carlo (DMC) based on fixed-node approximation has enjoyed significant developments in the past decades and become one of the go-to methods when accurate ground state energy of molecules and materials is needed. The remaining…
The present work proposes to use density-functional theory (DFT) to correct for the basis-set error of wave-function theory (WFT). One of the key ideas developed here is to define a range-separation parameter which automatically adapts to a…
We investigate the properties of fermion-boson stars (FBSs), which can be viewed as neutron stars with a bosonic dark matter (DM) admixture. A challenge in studying the impact of DM on neutron stars is the absence of a universally accepted…
In recent years dynamical modelling has been provided with a range of breakthrough methods to perform exact Bayesian inference. However it is often computationally unfeasible to apply exact statistical methodologies in the context of large…
Basis set incompleteness error and finite size error can manifest concurrently in systems for which the two effects are phenomenologically well-separated in length scale. When this is true, we need not necessarily remove the two sources of…
Diffusion Monte Carlo (DMC) calculations typically yield highly accurate results in solid-state and quantum-chemical calculations. However, operators that do not commute with the Hamiltonian are at best sampled correctly up to second order…
Full configuration interaction (FCI) solvers are limited to small basis sets due to their expensive computational costs. An optimal orbital selection for FCI (OptOrbFCI) is proposed to boost the power of existing FCI solvers to pursue the…
Commercial RGB-D cameras often produce noisy, incomplete depth maps for non-Lambertian objects. Traditional depth completion methods struggle to generalize due to the limited diversity and scale of training data. Recent advances exploit…
By combining extrapolated selected configuration interaction (sCI) energies obtained with the CIPSI (Configuration Interaction using a Perturbative Selection made Iteratively) algorithm with the recently proposed short-range…
The quality of astrochemical models is highly dependent on reliable binding energy (BE) values that consider the morphological and energetic variety of binding sites on the surface of ice-grain mantles. Here, we present the Binding Energy…
In this second part of our series on the recently proposed many-body expanded full configuration interaction (MBE-FCI) method, we introduce the concept of multideterminantal expansion references. Through theoretical arguments and numerical…
Motivated by a recent experiment by ENS group on the mixture of Bose and Fermi superfluids (arxiv:1404.2548), we investigate the effective scattering between a bosonic atom and a molecule(dimer) of fermion atoms. It is found that the…
Understanding the applicability and limitations of electronic-structure methods needs careful and efficient comparison with accurate reference data. Knowledge of the quality and errors of electronic-structure calculations is crucial to…
The Slater-type F12 geminal lengthscales originally tuned for the second-order M{\o}ller-Plesset F12 method are too large for higher-order F12 methods formulated using the SP (diagonal fixed-coefficient spin-adapted) F12 ansatz. The new…
Unmodeled beyond Standard Model (BSM) physics in neutrino propagation can masquerade as parameter degeneracies in future precision measurements. Because the upcoming DUNE and T2HK experiments will operate at substantially different…
Bayesian model mixing (BMM) is a statistical technique that can combine constraints from different regions of an input space in a principled way. Here we extend our BMM framework for the equation of state (EOS) of strongly interacting…
Two of the most significant challenges in uncertainty quantification pertain to the high computational cost for simulating complex physical models and the high dimension of the random inputs. In applications of practical interest, both of…