Showing 1–20 of 40 results
/ Date/ Name
Oct 10, 2022Enhanced diastereocontrol via strong light-matter interactions in an optical cavityJul 10, 2023Ab initio methods for polariton chemistryMay 30, 2025Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics ApproachesFeb 4, 2026Near-frustration-free electronic structure Hamiltonian representations and lower bound certificatesJun 3, 2019The role of orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrixMay 25, 2010Theoretical study of the implications of causality when inferring metamaterial propertiesMar 20, 2023Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster TheoriesAug 1, 2022Fast-forwarding quantum simulation with real-time quantum Krylov subspace algorithmsMay 10, 2023Time-Dependent Equation-of-Motion Coupled-Cluster Simulations with a Defective HamiltonianMay 10, 2023N-Representability Violations in Truncated Equation-of-Motion Coupled-Cluster MethodsNov 15, 2021Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachmentJun 12, 2021p$^\dagger$q: A tool for prototyping many-body methods for quantum chemistryJun 10, 2025Relativistic Core-Valence-Separated Molecular Mean-Field Exact-Two-Component Equation-of-Motion Coupled Cluster Theory: Applications to L-edge X-ray Absorption SpectroscopyApr 18, 2022Challenges for variational reduced-density-matrix theory: Total angular momentum constraintsMay 12, 2023Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster TheoryOct 16, 2023Variational Determination of the Two-Electron Reduced Density Matrix: A Tutorial ReviewNov 25, 2019Global hybrid multiconfiguration pair-density functional theoryMay 3, 2019The Chronus Quantum (ChronusQ) Software PackageApr 20, 2024Relativistic coupled cluster with completely renormalized and perturbative triples correctionsJun 19, 2025Extension of the CC($P$;$Q$) Formalism to the Electron Attachment and Ionization Potential Equation-of-Motion Coupled-Cluster Frameworks