| [1] |
Li Wei, Long Lian-Chun, Liu Jing-Yi, Yang Yang. Classification of magnetic ground states and prediction of magnetic moments of inorganic magnetic materials based on machine learning. Acta Physica Sinica,
2022, 71(6): 060202.
doi: 10.7498/aps.71.20211625
|
| [2] |
Li Ya-Sha, Sun Lin-Xiang, Zhou Xiao, Chen Kai, Wang Hui-Yao. Structure and excitation characteristics of C5F10O under external electric field based on density functional theory. Acta Physica Sinica,
2020, 69(1): 013101.
doi: 10.7498/aps.69.20191455
|
| [3] |
Li Ya-Sha, Xie Yun-Long, Huang Tai-Huan, Xu Cheng, Liu Guo-Cheng. Molecular structure and properties of salt cross-linked polyethylene under external electric field based on density functional theory. Acta Physica Sinica,
2018, 67(18): 183101.
doi: 10.7498/aps.67.20180808
|
| [4] |
Jiang Yuan-Qi, Peng Ping. Electronic structures of stable Cu-centered Cu-Zr icosahedral clusters studied by density functional theory. Acta Physica Sinica,
2018, 67(13): 132101.
doi: 10.7498/aps.67.20180296
|
| [5] |
Lü Jin, Yang Li-Jun, Wang Yan-Fang, Ma Wen-Jin. Density functional theory study of structure characteristics and stabilities of Al2Sn(n=2-10) clusters. Acta Physica Sinica,
2014, 63(16): 163601.
doi: 10.7498/aps.63.163601
|
| [6] |
Yao Jian-Gang, Gong Bao-An, Wang Yuan-Xu. Dissociative adsorptions of NO on Yn (n=1–12) clusters. Acta Physica Sinica,
2013, 62(24): 243601.
doi: 10.7498/aps.62.243601
|
| [7] |
Song Jian, Li Feng, Deng Kai-Ming, Xiao Chuan-Yun, Kan Er-Jun, Lu Rui-Feng, Wu Hai-Ping. Density functional study on the stability and electronic structure of single layer Si6H4Ph2. Acta Physica Sinica,
2012, 61(24): 246801.
doi: 10.7498/aps.61.246801
|
| [8] |
Yang Jian, Wang Ni-Ying, Zhu Dong-Jiu, Chen Xuan, Deng Kai-Ming, Xiao Chuan-Yun. Density functional calculation of the geometric and magnetic properties of MPb10（M=Ti，V，Cr，Cu，Pd） clusters. Acta Physica Sinica,
2009, 58(5): 3112-3117.
doi: 10.7498/aps.58.3112
|
| [9] |
Tang Chun-Mei, Chen Xuan, Deng Kai-Ming, Hu Feng-Lan, Huang De-Cai, Xia Hai-Yan. The evolution of the structure and electronic properties of the fullerene derivatives C60（CF3）n(n=2, 4, 6, 10): A density functional calculation. Acta Physica Sinica,
2009, 58(4): 2675-2679.
doi: 10.7498/aps.58.2675
|
| [10] |
Cao Qing-Song, Deng Kai-Ming, Chen Xuan, Tang Chun-Mei, Huang De-Cai. Density functional study on the geometric and electronic properties of MC20F20 （M=Li, Na, Be, Mg）. Acta Physica Sinica,
2009, 58(3): 1863-1869.
doi: 10.7498/aps.58.1863
|
| [11] |
Jiang Yan-Ling, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Tan Wei-Shi, Huang De-Cai, Liu Yu-Zhen, Wu Hai-Ping. Density functional study on the structural and electronic properties of fullerene-barbituric acid and its dimmer. Acta Physica Sinica,
2008, 57(6): 3690-3697.
doi: 10.7498/aps.57.3690
|
| [12] |
Lei Xue-Ling, Zhu Heng-Jiang, Ge Gui-Xian, Wang Xian-Ming, Luo You-Hua. Structures and magnetism of BnNi(n=6—12) clusters from density-functional theory. Acta Physica Sinica,
2008, 57(9): 5491-5499.
doi: 10.7498/aps.57.5491
|
| [13] |
Huang Zheng, Chen Bo, Ma Huan-Feng, Zhang Xiu-Lan, Gao Guo-Qiang, Qiang Wei-Rong, Sun Guang-Ai. The effect of the substituted transitional atom M on the magnetism of the intermetallic compounds YFe11M. Acta Physica Sinica,
2008, 57(3): 1867-1871.
doi: 10.7498/aps.57.1867
|
| [14] |
Li Xi-Bo, Luo Jiang-Shan, Guo Yun-Dong, Wu Wei-Dong, Wang Hong-Yan, Tang Yong-Jian. Density functional theory study of the stability, electronic and magnetic properties of Scn, Yn and Lan (n＝2—10) clusters. Acta Physica Sinica,
2008, 57(8): 4857-4865.
doi: 10.7498/aps.57.4857
|
| [15] |
Sheng Yong, Mao Hua-Ping, Tu Ming-Jing. DFT study on the Mg-doped TinMg (n=1—10) clusters. Acta Physica Sinica,
2008, 57(7): 4153-4158.
doi: 10.7498/aps.57.4153
|
| [16] |
Wang Qing-Lin, Ge Gui-Xian, Zhao Wen-Jie, Lei Xue-Ling, Yan Yu-Li, Yang Zhi, Luo You-Hua. Density functional theory study on the structure and properties of CoBen(n=1—12) clusters. Acta Physica Sinica,
2007, 56(6): 3219-3226.
doi: 10.7498/aps.56.3219
|
| [17] |
Zhao Wen-Jie, Yang Zhi, Yan Yu-Li, Lei Xue-Ling, Ge Gui-Xian, Wang Qing-Lin, Luo You-Hua. Ground-state structures and magnetisms of GenFe(n=1—8) clusters: The density functional investigations. Acta Physica Sinica,
2007, 56(5): 2596-2602.
doi: 10.7498/aps.56.2596
|
| [18] |
Yang Jian-Song, Li Bao-Xing. Study of the stability of gallium-arsenic ion clusters. Acta Physica Sinica,
2006, 55(12): 6562-6569.
doi: 10.7498/aps.55.6562
|
| [19] |
Chen Li, Li Hua, Dong Jian-Min, Pan Feng-Chun, Mei Liang-Mo. Study on the spin-polarized electronicstructures and atomic magnetic moments ofcluster La8-xBaxCuO6. Acta Physica Sinica,
2004, 53(1): 254-259.
doi: 10.7498/aps.53.254
|
| [20] |
TONG HONG-YONG, GU MU, TANG XUE-FENG, LIANG LING, YAO MING-ZHEN. ELECTRONIC STRUCTURES OF PbWO4 CRYSTAL CALCULATED IN TERMS OF DENSITY FUNCTIONAL THEORY. Acta Physica Sinica,
2000, 49(8): 1545-1549.
doi: 10.7498/aps.49.1545
|
下载:
