| Analytical gradients and derivative couplings for dynamically weighted complete active space self-consistent field WJ Glover, ASP Paz, W Thongyod, C Punwong The Journal of chemical physics 151 (20), 2019 | 13 | 2019 |
| Evidence for water antibonding orbital mixing in the hydrated electron from its oxygen 1s X-ray absorption spectrum X Li, X Jia, ASP Paz, Y Cao, WJ Glover Journal of the American Chemical Society 144 (43), 19668-19672, 2022 | 9 | 2022 |
| Diabatic many-body expansion: Development and application to charge-transfer reactions ASP Paz, WJ Glover Journal of Chemical Theory and Computation 17 (3), 1497-1511, 2021 | 8 | 2021 |
| Stroboscopic quantum nondemolition measurements for enhanced entanglement generation between atomic ensembles M Chaudhary, Y Mao, M Kondappan, ASP Paz, V Ivannikov, T Byrnes Physical Review A 105 (2), 022443, 2022 | 6 | 2022 |
| Active orbital preservation for multiconfigurational self-consistent field ASP Paz, NS Baleeva, WJ Glover The Journal of Chemical Physics 155 (7), 2021 | 5 | 2021 |
| Identification of novel RNA design candidates by clustering the extended RNA-As-Graphs library S Jain, Q Zhu, ASP Paz, T Schlick Biochimica et Biophysica Acta (BBA)-General Subjects 1864 (6), 129534, 2020 | 5 | 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 | 2 | 2024 |
| Role of electronic polarization in the primary charge-transfer states of the purple bacteria reaction center: A polarizable QM/MM study with the integral-exact direct reaction … A Humeniuk, ASP Paz, Y Cao, WJ Glover | 2 | 2022 |
| Molecular origins of the ultrafast relaxation of a photoexcited hydrated electron A Paz, W Glover | | 2023 |
| Efficient analytical gradients of property-based diabatic states: Geometry optimizations for localized holes ASP Paz, WJ Glover The Journal of Chemical Physics 158 (20), 2023 | | 2023 |
| Novel ab initio Methods for the Simulation of Photoinitiated Charge-Transfer Reactions in Condensed Phases ASP Paz New York University, 2023 | | 2023 |
| Direct evidence for water antibonding orbital mixing in the hydrated electron from its X-ray absorption spectrum X Li, X Jia, A Paz, Y Cao, W Glover | | 2022 |
| Supporting Information for “Evidence for water antibonding orbital mixing in the hydrated electron from its oxygen 1s X-ray absorption spectrum” X Li, X Jia, ASP Paz, Y Cao, WJ Glover | | |
