| Coupled cluster theory for molecular polaritons: Changing ground and excited states TS Haugland, E Ronca, EF Kjønstad, A Rubio, H Koch Physical Review X 10 (4), 041043, 2020 | 218 | 2020 |
| eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods SD Folkestad, EF Kjønstad, RH Myhre, JH Andersen, A Balbi, S Coriani, ... The Journal of Chemical Physics 152 (18), 2020 | 113 | 2020 |
| An efficient algorithm for Cholesky decomposition of electron repulsion integrals SD Folkestad, EF Kjønstad, H Koch The Journal of Chemical Physics 150 (19), 2019 | 69 | 2019 |
| Crossing conditions in coupled cluster theory EF Kjønstad, RH Myhre, TJ Martínez, H Koch The Journal of Chemical Physics 147 (16), 2017 | 63 | 2017 |
| Resolving the notorious case of conical intersections for coupled cluster dynamics EF Kjønstad, H Koch The Journal of Physical Chemistry Letters 8 (19), 4801-4807, 2017 | 43 | 2017 |
| Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks S Gulania, EF Kjønstad, JF Stanton, H Koch, AI Krylov The Journal of Chemical Physics 154 (11), 2021 | 33 | 2021 |
| Multilevel CC2 and CCSD in reduced orbital spaces: electronic excitations in large molecular systems SD Folkestad, EF Kjønstad, L Goletto, H Koch Journal of Chemical Theory and Computation 17 (2), 714-726, 2021 | 22 | 2021 |
| Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals AK Schnack-Petersen, H Koch, S Coriani, EF Kjønstad The Journal of Chemical Physics 156 (24), 2022 | 17 | 2022 |
| Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges R Faber, EF Kjønstad, H Koch, S Coriani The Journal of Chemical Physics 151 (14), 2019 | 16 | 2019 |
| An orbital invariant similarity constrained coupled cluster model EF Kjønstad, H Koch Journal of chemical theory and computation 15 (10), 5386-5397, 2019 | 16 | 2019 |
| Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations EF Kjønstad, SD Folkestad, H Koch The Journal of Chemical Physics 153 (1), 2020 | 10 | 2020 |
| Non-adiabatic derivative coupling elements for the coupled cluster singles and doubles model EF Kjønstad, H Koch The Journal of Chemical Physics 158 (16), 2023 | 9 | 2023 |
| Analytical evaluation of ground state gradients in quantum electrodynamics coupled cluster theory MT Lexander, S Angelico, EF Kjønstad, H Koch Journal of Chemical Theory and Computation 20 (20), 8876-8885, 2024 | 7 | 2024 |
| A Study of the Detonation Properties, Propellant Impulses, Impact Sensitivities and Synthesis of Nitrated ANTA and NTO Derivatives TL Jensen, JF Moxnes, EF Kjønstad, E Unneberg Central European Journal of Energetic Materials 13 (2), 445-467, 2016 | 7 | 2016 |
| Geometric phase in coupled cluster theory DMG Williams, EF Kjønstad, TJ Martínez The Journal of Chemical Physics 158 (21), 2023 | 6 | 2023 |
| Linear-Scaling Implementation of Multilevel Hartree–Fock Theory L Goletto, EF Kjønstad, SD Folkestad, IM Høyvik, H Koch Journal of Chemical Theory and Computation 17 (12), 7416-7427, 2021 | 5 | 2021 |
| Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory EF Kjønstad, OJ Fajen, AC Paul, S Angelico, D Mayer, M Gühr, TJA Wolf, ... Nature Communications 15 (1), 10128, 2024 | 4* | 2024 |
| Coupled cluster theory for nonadiabatic dynamics: nuclear gradients and nonadiabatic couplings in similarity constrained coupled cluster theory EF Kjønstad, S Angelico, H Koch Journal of Chemical Theory and Computation 20 (16), 7080-7092, 2024 | 4 | 2024 |
| Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics EF Kjønstad, H Koch Journal of Chemical Theory and Computation 17 (1), 127-138, 2020 | 4 | 2020 |
| Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning D Hait, D Lahana, OJ Fajen, ASP Paz, PA Unzueta, B Rana, L Lu, Y Wang, ... The Journal of Chemical Physics 160 (24), 2024 | 3 | 2024 |