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Sara Angelico
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Year
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
142023
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
112021
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
72024
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
42024
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
22025
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
22024
Born-Oppenheimer approximation in polaritonic chemistry
S ANGELICO
2022
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