| 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 |
| 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 |
| Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory JM Kasper, PJ Lestrange, TF Stetina, X Li Journal of Chemical Theory and Computation 14 (4), 1998-2006, 2018 | 53 | 2018 |
| Generalized Hartree-Fock with a Non-perturbative 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, 2018 | 40 | 2018 |
| Modeling L2, 3-edge X-ray absorption spectroscopy with linear response exact two-component relativistic time-dependent density functional theory TF Stetina, JM Kasper, X Li The Journal of Chemical Physics 150 (23), 2019 | 39 | 2019 |
| Ab initio methods for L-edge x-ray absorption spectroscopy JM Kasper, TF Stetina, AJ Jenkins, X Li Chemical Physics Reviews 1 (1), 2020 | 32 | 2020 |
| Buffering the pH of the culture medium does not extend yeast replicative lifespan BM Wasko, DT Carr, H Tung, H Doan, N Schurman, JR Neault, J Feng, ... F1000Research 2, 2013 | 28 | 2013 |
| 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 |
| Simulating effective qed on quantum computers TF Stetina, A Ciavarella, X Li, N Wiebe Quantum 6, 622, 2022 | 25 | 2022 |
| Say no to optimization: A nonorthogonal quantum eigensolver U Baek, D Hait, J Shee, O Leimkuhler, WJ Huggins, TF Stetina, ... PRX Quantum 4 (3), 030307, 2023 | 21 | 2023 |
| Generalization of block-localized wave function for constrained optimization of excited determinants A Grofe, R Zhao, A Wildman, TF Stetina, X Li, P Bao, J Gao Journal of Chemical Theory and Computation 17 (1), 277-289, 2020 | 21 | 2020 |
| 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 |
| X‐ray absorption signatures of hydrogen‐bond structure in water–alcohol solutions TF Stetina, AE Clark, X Li International Journal of Quantum Chemistry 119 (1), e25802, 2019 | 15 | 2019 |
| 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 |
| Solvent Extraction through the Lens of Advanced Modeling and Simulation AE Clark, MJ Servis, Z Liu, E Martinez-Baez, J Su, ER Batista, P Yang, ... Ion Exchange and Solvent Extraction, 147-218, 2019 | 9 | 2019 |
| 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 |
| Chronus Quantum, beta version X Li, D Williams-Young, E Valeev, E DePrince III, S Hammes-Schiffer, ... | 5 | 2020 |
| Say no to optimization: A non-orthogonal quantum eigensolver (2022) U Baek, D Hait, J Shee, O Leimkuhler, WJ Huggins, TF Stetina, ... arXiv preprint arXiv:2205.09039, 0 | 5 | |
| On the Finite Nuclear Effect and Gaussian Basis Sets for Four-Component Dirac Hartree− Fock Calculations S Sun, TF Stetina, T Zhang, X Li Rare Earth Elements and Actinides: Progress in Computational Science …, 2021 | 4 | 2021 |
| Chronus Quantum X Li, E Valeev, D Williams-Young, A Petrone, S Sun, T Stetina, A Wildman, ... Beta 0.2 version. http://www. chronusquantum. org, 2018 | 4 | 2018 |
