Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond H Zhai, HR Larsson, S Lee, ZH Cui, T Zhu, C Sun, L Peng, R Peng, K Liao, ... The Journal of Chemical Physics 159 (23), 2023 | 31 | 2023 |
Revealing the Mechanism of Pressure‐Induced Emission in Layered Silver‐Bismuth Double Perovskites L Zhang, S Li, H Sun, Q Jiang, Y Wang, Y Fang, Y Shi, D Duan, K Wang, ... Angewandte Chemie 135 (14), e202301573, 2023 | 26 | 2023 |
Manipulating Lone‐Pair‐Driven Luminescence in 0D Tin Halides by Pressure‐Tuned Stereochemical Activity from Static to Dynamic L Zhang, S Li, H Sun, Y Fang, Y Wang, K Wang, H Jiang, L Sui, G Wu, ... Angewandte Chemie 135 (46), e202311912, 2023 | 9 | 2023 |
Pros and cons of the time-dependent hybrid density functional approach for calculating the optical spectra of solids: a case study of CeO 2 HY Sun, SX Li, H Jiang Physical Chemistry Chemical Physics 23 (30), 16296-16306, 2021 | 7 | 2021 |
A‐site coordinating cation engineering in zero‐dimensional antimony halide perovskites for strong self‐trapped exciton emission X Liu, X Gao, L Xiong, S Li, Y Zhang, Q Li, H Jiang, D Xu SmartMat, e1224, 2023 | 4 | 2023 |
First-Principles Investigation on the Stability, Electronic Structure, and Exciton Self-Trapping Mechanism of 0D and 1D Cs3Cu2Cl5 L Xiong, H Sun, S Li, H Jiang The Journal of Physical Chemistry C 127 (19), 9113-9120, 2023 | 2 | 2023 |