Performance of delta-coupled-cluster methods for calculations of core-ionization energies of first-row elements X Zheng, L Cheng Journal of chemical theory and computation 15 (9), 4945-4955, 2019 | 81 | 2019 |
Calculations of time-reversal-symmetry-violation sensitivity parameters based on analytic relativistic coupled-cluster gradient theory C Zhang, X Zheng, L Cheng Physical Review A 104 (1), 012814, 2021 | 29 | 2021 |
Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an … J Liu, X Zheng, A Asthana, C Zhang, L Cheng The Journal of Chemical Physics 154 (6), 2021 | 23 | 2021 |
Hetero-site double core ionization energies with sub-electronvolt accuracy from delta-coupled-cluster calculations X Zheng, J Liu, G Doumy, L Young, L Cheng The Journal of Physical Chemistry A 124 (22), 4413-4426, 2020 | 19 | 2020 |
From synchrotrons for XFELs: the soft x-raynear-edge spectrum of the ESCA molecule SL Sorensen, X Zheng, SH Southworth, M Patanen, E Kokkonen, ... Journal of Physics B: Atomic, Molecular and Optical Physics, 2020 | 13 | 2020 |
Benchmark relativistic delta-coupled-cluster calculations of K-edge core-ionization energies of third-row elements X Zheng, C Zhang, Z Jin, SH Southworth, L Cheng Physical Chemistry Chemical Physics 24 (22), 13587-13596, 2022 | 12 | 2022 |
Geometry optimizations with spinor-based relativistic coupled-cluster theory X Zheng, C Zhang, J Liu, L Cheng The Journal of Chemical Physics 156 (15), 2022 | 10 | 2022 |
X-ray induced electron and ion fragmentation dynamics in IBr PJ Ho, D Ray, CS Lehmann, AEA Fouda, RW Dunford, EP Kanter, ... The Journal of Chemical Physics 158 (13), 2023 | 8 | 2023 |
Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method C Zhang, X Zheng, J Liu, A Asthana, L Cheng The Journal of Chemical Physics 159 (24), 2023 | 6 | 2023 |
Elucidating Anomalous Intensity Ratios in Chlorine L-Edge X-ray Absorption Spectroscopy: Multiplet Effects and Core Rydberg Transitions Z Lin, J Liu, C Zhang, X Zheng, L Cheng The Journal of Physical Chemistry A 128 (39), 8373-8383, 2024 | | 2024 |
DEVELOPMENT OF RELATIVISTIC COUPLED-CLUSTER TECHNIQUES FOR X-RAY SPECTROSCOPY X Zheng Johns Hopkins University, 2023 | | 2023 |
X-ray induced electron and ion fragmentation dynamics in iodine monobromine P Ho, R Dunford, A Fouda, G Doumy, D Walko, D Ray, S Lehmann, ... APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts 2023 …, 2023 | | 2023 |
High-Accuracy Calculations of X-ray Spectra via Relativistic Coupled-Cluster Techniques X Zheng, L Cheng, S Sorensen, G Doumy, S Southworth, L Young Bulletin of the American Physical Society 66, 2021 | | 2021 |
Towards observing site-selective chemistry in real time: controlling the formation of molecular double-core-hole states D Koulentianos, K Li, S Southworth, A Fouda, P Ho, L Young, T Driver, ... Bulletin of the American Physical Society 66, 2021 | | 2021 |
Analytic Calculations of Time-Reversal Symmetry Violating Parameters Based on Relativistic Coupled-Cluster Analytic-Gradient Theory C Zhang, X Zheng, L Cheng Bulletin of the American Physical Society 66, 2021 | | 2021 |
Analytic Relativistic Coupled-Cluster Calculations of Time-Reversal Violating Parameters C Zhang, X Zheng, L Cheng 2021 International Symposium on Molecular Spectroscopy, 2021 | | 2021 |
Sub-Ev Accuracy Delta-Coupled Calculations for Hetero-Site Double Core-Ionized States X Zheng, J Liu, L Cheng, G Doumy, L Young 2021 International Symposium on Molecular Spectroscopy, 2021 | | 2021 |
An Edge-Specific Scheme for Equation-Of Coupled-Cluster Calculations of X-Ray Absorption Spectra X Zheng, C Zhang, L Cheng 2021 International Symposium on Molecular Spectroscopy, 2021 | | 2021 |
Towards Observing Site Selective Chemistry in Real Time G Doumy, D Koulentianos, S Southworth, L Young, X Zheng, J Liu, ... APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts 2020 …, 2020 | | 2020 |
Delta-coupled-cluster methods for accurate calculations of core ionization energies X Zheng International Symposium on Molecular Spectroscopy, 2019 | | 2019 |