Attosecond-pump attosecond-probe x-ray spectroscopy of liquid water S Li, L Lu, S Bhattacharyya, C Pearce, K Li, ET Nienhuis, G Doumy, ... Science 383 (6687), 1118-1122, 2024 | 33 | 2024 |
Exact-two-component relativistic multireference second-order perturbation theory L Lu, H Hu, AJ Jenkins, X Li Journal of Chemical Theory and Computation 18 (5), 2983-2992, 2022 | 32 | 2022 |
Relativistic Kramers-unrestricted exact-two-component density matrix renormalization group CE Hoyer, H Hu, L Lu, S Knecht, X Li The Journal of Physical Chemistry A 126 (30), 5011-5020, 2022 | 24 | 2022 |
Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L-Edge X-ray Absorption Spectra AJ Jenkins, H Hu, L Lu, MJ Frisch, X Li Journal of Chemical Theory and Computation 18 (1), 141-150, 2021 | 18 | 2021 |
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 | 16 | 2023 |
Defect-induced magnetic skyrmion in a two-dimensional chromium triiodide monolayer RA Beck, L Lu, PV Sushko, X Xu, X Li JACS Au 1 (9), 1362-1367, 2021 | 15 | 2021 |
The “hole” story in ionized water from the perspective of ehrenfest dynamics L Lu, A Wildman, AJ Jenkins, L Young, AE Clark, X Li The Journal of Physical Chemistry Letters 11 (22), 9946-9951, 2020 | 8 | 2020 |
Spectroscopic Signatures of the B and H4 Polyatomic Nitrogen Aggregates in Nanodiamond RA Beck, L Lu, A Petrone, AC Ong, PJ Pauzauskie, X Li The Journal of Physical Chemistry C 124 (33), 18275-18283, 2020 | 8 | 2020 |
Direct Probe of Conical Intersection Photochemistry by Time-Resolved X-ray Magnetic Circular Dichroism S Sun, B Gu, H Hu, L Lu, D Tang, VY Chernyak, X Li, S Mukamel Journal of the American Chemical Society 146 (29), 19863-19873, 2024 | 3 | 2024 |
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 | 3 | 2024 |
Small tensor product distributed active space (STP-DAS) framework for relativistic and non-relativistic multiconfiguration calculations: Scaling from 109 on a laptop to 1012 … H Hu, S Upadhyay, L Lu, AJ Jenkins, T Zhang, A Shayit, S Knecht, X Li Chemical Physics Reviews 5 (4), 2024 | 1 | 2024 |
First Results from Attosecond X-Ray Pump-Probe Experiments in Liquids S Li, K Li, G Doumy, L Young, E Nienhuis, C Pearce, L Lu, X Li, ... Laser Science, LM6F. 5, 2023 | | 2023 |
Understanding interfacial properties associated with radiation effects in complex nuclear environments CI Pearce, M Prange, L Young, J LaVerne, T Orlando, G Kimmel, L Liu, ... Goldschmidt 2023 Conference, 2023 | | 2023 |
Approaching Accurate Description of Molecular Spectroscopies with Multi-reference Electronic Structure Methods L Lu University of Washington, 2023 | | 2023 |