Coupled cluster cavity Born–Oppenheimer approximation for electronic strong coupling S Angelico, TS Haugland, E Ronca, H Koch The Journal of Chemical Physics 159 (21), 2023 | 14 | 2023 |
A polarizable three-layer frozen density embedding/molecular mechanics approach F Egidi, S Angelico, P Lafiosca, T Giovannini, C Cappelli The Journal of Chemical Physics 154 (16), 2021 | 11 | 2021 |
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 |
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 |
Determining minimum energy conical intersections by enveloping the seam: exploring ground and excited state intersections in coupled cluster theory S Angelico, EF Kjønstad, H Koch The Journal of Physical Chemistry Letters 16, 561-567, 2025 | 2 | 2025 |
Generalized coupled cluster theory for ground and excited state intersections F Rossi, EF Kjønstad, S Angelico, H Koch The Journal of Physical Chemistry Letters 16, 568-578, 2024 | 2 | 2024 |
Born-Oppenheimer approximation in polaritonic chemistry S ANGELICO | | 2022 |