Showing 1–12 of 12 results
/ Date/ Name
Aug 24, 2020Theory and Implementation of a Novel Stochastic Approach to Coupled ClusterNov 28, 2018The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state upApr 16, 2018PCMSolver: an Open-Source Library for Solvation ModelingMar 27, 2019Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous SolutionsFeb 14, 2020The DIRAC code for relativistic molecular calculationsJan 9, 2019Diagrammatic Coupled Cluster Monte CarloMay 24, 2024Quantum-centric strong and dynamical electron correlation: A resource-efficient second-order $N$-electron valence perturbation theory formulation for near-term quantum devicesNov 6, 20234-component Relativistic Calculations in a Multiwavelet Basis with Improved ConvergenceNov 4, 2022Cavity-free continuum solvation: implementation and parametrization in a multiwavelet frameworkOct 3, 2022The MRChem multiresolution analysis code for molecular electronic structure calculations: performance and scaling propertiesFeb 13, 2024VAMPyR -- A High-Level Python Library for Mathematical Operations in a Multiwavelets RepresentationSep 28, 2023Full Breit Hamiltonian in the Multiwavelets Framework