| [1] |
Wang Fei, Yang Zhen-Qing, Xia Yu-Hong, Liu Chang, Lin Chun-Dan. Nonadiabatic molecular dynamics study on effect of Ge/Sn alloy on hot carrier relaxation of CsPbBr3 perovskite. Acta Physica Sinica,
2024, 73(2): 028801.
doi: 10.7498/aps.73.20231061
|
| [2] |
Zhang Ying, Wang Xing, Xu Zhong-Feng, Ren Jie-Ru, Zhang Yan-Ning, Zhou Xian-Ming, Liang Chang-Hui, Zhang Xiao-An. Ab initio molecular dynamics study on dissociation process of 2-thiouracil and its tautomers under low-energy electron interactions. Acta Physica Sinica,
2024, 73(2): 023101.
doi: 10.7498/aps.73.20231304
|
| [3] |
Wang Yue, Ma Jie. Non-adiabatic dynamic study of S vacancy formation in MoS2. Acta Physica Sinica,
2023, 72(22): 226101.
doi: 10.7498/aps.72.20230787
|
| [4] |
Yang Zhang-Zhang, Liu Li, Wan Zhi-Tao, Fu Jia, Fan Qun-Chao, Xie Feng, Zhang Yi, Ma Jie. Combining machine learning algorithm to improve prediction performance of ab initio method for vibrational energy spectra of HF/HBr/H35Cl/Na35Cl. Acta Physica Sinica,
2023, 72(7): 073101.
doi: 10.7498/aps.72.20221953
|
| [5] |
Xing Wei, Sun Jin-Feng, Shi De-Heng, Zhu Zun-Lüe. icMRCI+Q study on spectroscopic properties and predissociation mechanisms of electronic states of BF+ cation. Acta Physica Sinica,
2018, 67(6): 063301.
doi: 10.7498/aps.67.20172114
|
| [6] |
Zhou Rui, Li Chuan-Liang, He Xiao-Hu, Qiu Xuan-Bing, Meng Hui-Yan, Li Ya-Chao, Lai Yun-Zhong, Wei Ji-Lin, Deng Lun-Hua. Spectroscopic properties of low-lying excited electronic states for CF- anion based on ab initio calculation. Acta Physica Sinica,
2017, 66(2): 023101.
doi: 10.7498/aps.66.023101
|
| [7] |
Xing Wei, Liu Hui, Shi De-Heng, Sun Jin-Feng, Zhu Zun-Lüe. icMRCI+Q study on spectroscopic properties of twelve -S states and twenty-three states of the CF+ cation. Acta Physica Sinica,
2016, 65(3): 033102.
doi: 10.7498/aps.65.033102
|
| [8] |
Xing Wei, Liu Hui, Shi De-Heng, Sun Jin-Feng, Zhu Zun-Lü, Lü Shu-Xia. Theoretical study on spectroscopic properties and predissociation mechanisms of the electronic states of carbon monofluoride. Acta Physica Sinica,
2015, 64(15): 153101.
doi: 10.7498/aps.64.153101
|
| [9] |
Han Xiao-Qin. The ab initio and potential energy curve of SiF2(1A1). Acta Physica Sinica,
2014, 63(23): 233101.
doi: 10.7498/aps.63.233101
|
| [10] |
Han Xiao-Qin, Xiao Xia-Jie, Liu Yu-Fang. The ab initio potential energy curve of HNO(1A’). Acta Physica Sinica,
2013, 62(19): 193101.
doi: 10.7498/aps.62.193101
|
| [11] |
Han Xiao-Qin, Xiao Xia-Jie, Liu Yu-Fang. The ab initio and potential energy curve of OH, OCI and HOCI(1A'). Acta Physica Sinica,
2012, 61(16): 163101.
doi: 10.7498/aps.61.163101
|
| [12] |
Rao Jian-Ping, Ouyang Chu-Ying, Lei Min-Sheng, Jiang Feng-Yi. First principles investigation of interaction between interstitials H atom and Nb metal. Acta Physica Sinica,
2012, 61(4): 047105.
doi: 10.7498/aps.61.047105
|
| [13] |
Wang Xiao-Yan, Li Shu-Guang, Liu Shuo, Zhang Lei, Yin Guo-Bing, Feng Rong-Pu. Midinfrared As2 S3 chalcogenide glass broadband normal dispersion photonic crystal fiber with high birefringence and high nonlinearity. Acta Physica Sinica,
2011, 60(6): 064213.
doi: 10.7498/aps.60.064213
|
| [14] |
Ouyang Chu-Ying, Hu Guo-Jin. Influence of surface effect to the performance of LiMn2O4 cathode material for lithium ion batteries. Acta Physica Sinica,
2010, 59(8): 5863-5869.
doi: 10.7498/aps.59.5863
|
| [15] |
Zhou Jing-Jing, Chen Yun-Gui, Wu Chao-Ling, Zheng Xin, Fang Yu-Chao, Gao Tao. First-pricinples design on atomic scale for new lightweight hydrogen storage materials. Acta Physica Sinica,
2009, 58(7): 4853-4861.
doi: 10.7498/aps.58.4853
|
| [16] |
Ji Guang-Fu, Zhang Yan-Li, Cui Hong-Lingi, Li Xiao-Feng, Zhao Feng, Meng Chuan-Min, Song Zhen-Fei. Ab initio simulation on thermodynamic equation of state of fcc aluminum under high temperature and pressure. Acta Physica Sinica,
2009, 58(6): 4103-4108.
doi: 10.7498/aps.58.4103
|
| [17] |
Li Rui, Yan Bing, Zhao Shu-Tao, Guo Qing-Qun, Lian Ke-Yan, Tian Chuan-Jin, Pan Shou-Fu. Ab initio calculation of C—I bond dissociation of two alkyl iodide molecules. Acta Physica Sinica,
2008, 57(7): 4148-4152.
doi: 10.7498/aps.57.4148
|
| [18] |
Li Rui, Yan Bing, Zhao Shu-Tao, Guo Qing-Qun, Lian Ke-Yan, Tian Chuan-Jin, Pan Shou-Fu. Spin-orbit ab initio calculation of photodissociation of methyl iodide. Acta Physica Sinica,
2008, 57(7): 4130-4133.
doi: 10.7498/aps.57.4130
|
| [19] |
Liang Xiao-Rui, Zhao Bo, Zhou Zhi-Hua. Ab initio study on the second-order nonlinear optical properties of some coumarin derivatives. Acta Physica Sinica,
2006, 55(2): 723-728.
doi: 10.7498/aps.55.723
|
| [20] |
GAO HONG. PREDISSOCIATION OF HYDROGEN IN THE-3pπ D1πu+ AND 4pσ B″1Σu+ STATES. Acta Physica Sinica,
1997, 46(11): 2138-2145.
doi: 10.7498/aps.46.2138
|
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