Showing 1–20 of 24 results
/ Date/ Name
Jun 15, 2022Fully Self-Consistent Finite-Temperature $GW$ in Gaussian Bloch Orbitals for SolidsOct 23, 2020Electron correlations in cubic paramagnetic perovskite Sr(V,Mn)O$_{3}$ -- Results from fully self-consistent self-energy embedding calculationsApr 27, 2024Tensor hypercontraction for fully self-consistent imaginary-time GF2 and GWSOX methods: theory, implementation, and role of the Green's function second-order exchange for intermolecular interactionsDec 31, 2020Testing the GFCCSD impurity solver on real materials within the self-energy embedding theory frameworkFeb 4, 2022Relativistic Self-Consistent $GW$: Exact Two-Component Formalism with One-Electron Approximation for SolidsJun 8, 2023Low-Scaling Algorithm for the Random Phase Approximation using Tensor Hypercontraction with k-point SamplingJan 22, 2024Low-Scaling algorithms for $GW$ and constrained random phase approximation using symmetry-adapted interpolative separable density fittingMar 12, 2026Electronic correlations and dynamical screening with ab initio quantum embeddingJul 16, 2021Exploring Coupled Cluster Green's function as a method for treating system and environment in Green's function embedding methodsSep 30, 2019Direct comparison of many-body methods for realistic electronic HamiltoniansOct 9, 2025Interpolative separable density fitting on adaptive real space gridsJul 2, 2021Analytical Continuation of Matrix-Valued Functions: Carathéodory FormalismDec 16, 2021Iterative subspace algorithms for finite-temperature solution of Dyson equationJan 16, 2016Electronic and Optical Properties of the Narrowest Armchair Graphene Nanoribbons Studied by Density Functional MethodsJun 26, 2024Green/WeakCoupling: Implementation of fully self-consistent finite-temperature many-body perturbation theory for molecules and solidsApr 28, 2026Self-consistent vertex corrected $GW$ with static and dynamic screening using tensor hypercontraction: assessment of molecular ionization potentialsMar 14, 2026The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry projectApr 21, 2021Evaluation of two-particle properties within finite-temperature self-consistent one-particle Green's function methods: theory and application to GW and GF2Apr 13, 2016Role of Kekulé and Non-Kekulé Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT StudyDec 25, 2024Tensor hypercontraction for self-consistent vertex corrected GW with static and dynamic screening; applications to molecules and solids with superexchange