Rachel Crespo‐Otero

Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

Rachel Crespo‐Otero, Mario Barbatti · Theoretical Chemistry Accounts · 2012 · 356 citations

Engineering, Physics, Natural Sciences +11

Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study

Felix Plasser, Rachel Crespo‐Otero, Marek Pederzoli et al. · Journal of Chemical Theory and Computation · 2014 · 216 citations

Engineering, Molecular Biology, Correlated Single-reference Methods +18

Critical appraisal of excited state nonadiabatic dynamics simulations of 9<i>H</i>-adenine

Mario Barbatti, Zhenggang Lan, Rachel Crespo‐Otero et al. · The Journal of Chemical Physics · 2012 · 194 citations

Localized Excited State, Engineering, Excitation Energy Transfer +18

Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles

Mario Barbatti, Mattia Bondanza, Rachel Crespo‐Otero et al. · Journal of Chemical Theory and Computation · 2022 · 116 citations · Full text

Engineering, Nuclear Physics, Particle Method +21

Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping

Iakov Polyak, Lewis Hutton, Rachel Crespo‐Otero et al. · Journal of Chemical Theory and Computation · 2019 · 84 citations · Full text

Localized Excited State, Engineering, Excitation Energy Transfer +18