Showing 1–20 of 28 results
/ Date/ Name
Aug 5, 2019Efficient and accurate description of adsorption in zeolitesJul 17, 2025Spin-free Generalised Normal Ordered Coupled ClusterJul 16, 2018Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energiesFeb 26, 2023A regularized second-order correlation method from Green's function theoryAug 5, 2012An explicitly correlated approach to basis set incompleteness in Full Configuration Interaction Quantum Monte CarloJul 13, 2025DLPNO-MP2 for Periodic Systems using Megacell EmbeddingJun 30, 2022Exact electronic states with shallow quantum circuits through global optimisationMay 21, 2021Molecular Excited State Calculations with Adaptive Wavefunctions on a Quantum Eigensolver Emulation: Reducing Circuit Depth and Separating Spin StatesMar 8, 2024Multi-reference coupled cluster theory using the normal ordered exponential ansatzSep 19, 2023Diagrammatic theory of the irreducible coupled-cluster self-energyMar 9, 2025Non-hermitian Green's function theory with $N$-body interactions: the coupled-cluster similarity transformationJun 10, 2025Quantum Resource Assay for the Grid-Based Simulation of the Photodynamics of PyrazineMar 22, 2026A Grid-Based Quantum Algorithm for the Time-Dependent Simulation of Infrared SpectraMar 3, 2026Improved Grid-Based Simulation of Coulombic DynamicsJun 19, 2020Improving the accuracy of quantum computational chemistry using the transcorrelated methodAug 8, 2019Similarity transformation of the electronic Schrödinger equation via Jastrow factorisationFeb 11, 2022Grid-based methods for chemistry simulations on a quantum computerFeb 13, 2024Spin-coupled molecular orbitals: chemical intuition meets quantum chemistryOct 8, 2023Which model density is best in pair natural orbital local correlation theory?Apr 29, 2024Spin coupling is all you need: Encoding strong electron correlation in molecules on quantum computers