Zhendong Li
Affiliations: | Beijing Normal University, Beijing, Beijing Shi, China |
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Publications
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| Wang Y, Fang WH, Li Z. (2025) Generalized Many-Body Perturbation Theory for the Electron Correlation Energy: Multireference Random Phase Approximation via Diagrammatic Resummation. The Journal of Physical Chemistry Letters. 16: 3047-3055 |
| Li Z. (2023) Time-reversal symmetry adaptation in relativistic density matrix renormalization group algorithm. The Journal of Chemical Physics. 158: 044119 |
| Wang Z, Li Z, Zhang Y, et al. (2020) Analytic energy gradients of spin-adapted open-shell time-dependent density functional theory. The Journal of Chemical Physics. 153: 164109 |
| Sun Q, Zhang X, Banerjee S, et al. (2020) Recent developments in the PySCF program package. The Journal of Chemical Physics. 153: 024109 |
| Zhang Y, Suo B, Wang Z, et al. (2020) BDF: A relativistic electronic structure program package. The Journal of Chemical Physics. 152: 064113 |
| Li Z, Guo S, Sun Q, et al. (2019) Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations. Nature Chemistry |
| Li Z, Li J, Dattani NS, et al. (2019) The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations. The Journal of Chemical Physics. 150: 024302 |
| Guo S, Li Z, Chan GK. (2018) A Perturbative Density Matrix Renormalization Group Algorithm for Large Active Spaces. Journal of Chemical Theory and Computation |
| Guo S, Li Z, Chan GK. (2018) Communication: An efficient stochastic algorithm for the perturbative density matrix renormalization group in large active spaces. The Journal of Chemical Physics. 148: 221104 |
| Ronca E, Li Z, Jimenez-Hoyos CA, et al. (2017) Time-step targeting time-dependent and dynamical density matrix renormalization group algorithms with ab initio Hamiltonians. Journal of Chemical Theory and Computation |