| The Chronus quantum software package DB Williams‐Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1436, 2020 | 88 | 2020 |
| Real time propagation of the exact two component time-dependent density functional theory JJ Goings, JM Kasper, F Egidi, S Sun, X Li The Journal of chemical physics 145 (10), 2016 | 88 | 2016 |
| Two-component noncollinear time-dependent spin density functional theory for excited state calculations F Egidi, S Sun, JJ Goings, G Scalmani, MJ Frisch, X Li Journal of Chemical Theory and Computation 13 (6), 2591-2603, 2017 | 82 | 2017 |
| An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables A Petrone, DB Williams-Young, S Sun, TF Stetina, X Li The European Physical Journal B 91, 1-14, 2018 | 61 | 2018 |
| Generalized Hartree–Fock with nonperturbative treatment of strong magnetic fields: Application to molecular spin phase transitions S Sun, DB Williams-Young, TF Stetina, X Li Journal of Chemical Theory and Computation 15 (1), 348-356, 2018 | 40 | 2018 |
| A hybrid quantum-classical model of electrostatics in multiply charged quantum dots H Liu, CK Brozek, S Sun, DB Lingerfelt, DR Gamelin, X Li The Journal of Physical Chemistry C 121 (46), 26086-26095, 2017 | 33 | 2017 |
| An ab initio linear response method for computing magnetic circular dichroism spectra with nonperturbative treatment of magnetic field S Sun, D Williams-Young, X Li Journal of Chemical Theory and Computation 15 (5), 3162-3169, 2019 | 30 | 2019 |
| Efficient four-component Dirac–Coulomb–Gaunt Hartree–Fock in the Pauli spinor representation S Sun, TF Stetina, T Zhang, H Hu, EF Valeev, Q Sun, X Li Journal of Chemical Theory and Computation 17 (6), 3388-3402, 2021 | 27 | 2021 |
| Polariton ring currents and circular dichroism of Mg-porphyrin in a chiral cavity S Sun, B Gu, S Mukamel Chemical science 13 (4), 1037-1048, 2022 | 26 | 2022 |
| Simulating magnetic circular dichroism spectra with real-time time-dependent density functional theory in gauge including atomic orbitals S Sun, RA Beck, D Williams-Young, X Li Journal of Chemical Theory and Computation 15 (12), 6824-6831, 2019 | 24 | 2019 |
| Modeling magneto‐Photoabsorption using time‐dependent complex generalized Hartree‐Fock TF Stetina, S Sun, DB Williams‐Young, X Li ChemPhotoChem 3 (9), 739-746, 2019 | 17 | 2019 |
| Efficient evaluation of the Breit operator in the Pauli spinor basis S Sun, J Ehrman, Q Sun, X Li The Journal of Chemical Physics 157 (6), 2022 | 16 | 2022 |
| Relativistic Effects in Magnetic Circular Dichroism: Restricted Magnetic Balance and Temperature Dependence S Sun, X Li Journal of Chemical Theory and Computation 16 (7), 4533-4542, 2020 | 15 | 2020 |
| Perspective on Kramers symmetry breaking and restoration in relativistic electronic structure methods for open-shell systems JM Kasper, AJ Jenkins, S Sun, X Li The Journal of Chemical Physics 153 (9), 2020 | 14 | 2020 |
| Wiley Interdiscip DB Williams-Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ... Rev.: Comput. Mol. Sci 10 (2), e1436, 2020 | 14 | 2020 |
| Correlated Dirac–Coulomb–Breit multiconfigurational self-consistent-field methods CE Hoyer, L Lu, H Hu, KD Shumilov, S Sun, S Knecht, X Li The Journal of Chemical Physics 158 (4), 2023 | 8 | 2023 |
| Photoelectron spectroscopy with entangled photons; enhanced spectrotemporal resolution B Gu, S Sun, F Chen, S Mukamel Proceedings of the National Academy of Sciences 120 (21), e2300541120, 2023 | 7 | 2023 |
| Scalar Breit interaction for molecular calculations S Sun, J Ehrman, T Zhang, Q Sun, KG Dyall, X Li The Journal of Chemical Physics 158 (17), 2023 | 7 | 2023 |
| Attosecond charge migration in molecules imaged by combined x-ray and electron diffraction H Yong, S Sun, B Gu, S Mukamel Journal of the American Chemical Society 144 (45), 20710-20716, 2022 | 6 | 2022 |
| The role of excited-state proton relays in the photochemical dynamics of water nanodroplets TF Stetina, S Sun, DB Lingerfelt, A Clark, X Li The Journal of Physical Chemistry Letters 10 (13), 3694-3698, 2019 | 6 | 2019 |
Xiaosong LiLarry R. Dalton Endowed Chair in Chemistry, University of Washington, Seattle, WAVerified email at uw.edu
