| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 649 | 2021 |
| Understanding the surface hopping view of electronic transitions and decoherence JE Subotnik, A Jain, B Landry, A Petit, W Ouyang, N Bellonzi Annual review of physical chemistry 67, 387-417, 2016 | 379 | 2016 |
| An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability N Bellonzi, A Jain, JE Subotnik The Journal of chemical physics 144 (15), 2016 | 66 | 2016 |
| An extension of the fewest switches surface hopping algorithm to complex Hamiltonians and photophysics in magnetic fields: Berry curvature and “magnetic” forces G Miao, N Bellonzi, J Subotnik The Journal of chemical physics 150 (12), 2019 | 33 | 2019 |
| A demonstration of consistency between the quantum classical Liouville equation and Berry’s phase and curvature for the case of complex Hamiltonians J Subotnik, G Miao, N Bellonzi, HH Teh, W Dou The Journal of Chemical Physics 151 (7), 2019 | 20 | 2019 |
| Configuration interaction singles with spin-orbit coupling: Constructing spin-adiabatic states and their analytical nuclear gradients N Bellonzi, GR Medders, E Epifanovsky, JE Subotnik The Journal of Chemical Physics 150 (1), 2019 | 16 | 2019 |
| TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings N Bellonzi, E Alguire, S Fatehi, Y Shao, JE Subotnik The Journal of Chemical Physics 152 (4), 2020 | 11 | 2020 |
| Constructing spin‐adiabatic states for the modeling of spin‐crossing reactions. I. A shared‐orbital implementation Y Tao, Z Pei, N Bellonzi, Y Mao, Z Zou, W Liang, Z Yang, Y Shao International journal of quantum chemistry 120 (6), e26123, 2020 | 3 | 2020 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package W Skomorowski, PR Horn, AF White, P Pokhilko, N Mardirossian, Y Mao, ... Journal of Chemical Physics, 2021 | | 2021 |
| Nonadiabatic Dynamics with Spin-orbit Coupling NI Bellonzi University of Pennsylvania, 2019 | | 2019 |
| Mixed semi-classical approaches to nonadiabatic dynamics: Capturing detailed balance N Bellonzi, A Jain, J Subotnik ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Detailed balance and nonadiabatic dynamics N Bellonzi, J Subotnik ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
