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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.
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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.
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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
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Song Qing-Gong, Zhao Jun-Pu, Gu Wei-Feng, Zhen Dan-Dan, Guo Yan-Rui, Li Ze-Peng. Ductile and electronic properties of La-doped gamma-TiAl systems based on density functional theory. Acta Physica Sinica,
2017, 66(6): 066103.
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Chen Chuan-Wen, Xiang Yang. Magnetization distribution in exchange spring bilayers with mutually orthogonal anisotropies. Acta Physica Sinica,
2016, 65(12): 127502.
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Pan Feng-Chun, Lin Xue-Ling, Chen Huan-Ming. Study on magnetic moment of cation-vacancy. Acta Physica Sinica,
2015, 64(17): 176101.
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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.
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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.
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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.
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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.
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Qi Kai-Tian, Yang Chuan-Lu, Li Bing, Zhang Yan, Sheng Yong. Density functional theory study on TinLa（n=1—7） clusters. Acta Physica Sinica,
2009, 58(10): 6956-6961.
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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.
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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.
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Bai Yu-Jie, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Chen Xuan, Tan Wei-Shi, Liu Yu-Zhen, Huang De-Cai. Density functional calculations on the geometric and electronic structures of the endohedral fullerene H2＠C60 and its dimmer. Acta Physica Sinica,
2008, 57(6): 3684-3689.
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Zhao Wen-Jie, Wang Qing-Lin, Ren Feng-Zhu, Luo You-Hua. First principles study of the ground-state structures and magnetism of Zrn Fe(n=2—13)clusters. Acta Physica Sinica,
2007, 56(10): 5746-5753.
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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.
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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.
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Fang Fang, Jiang Gang, Wang Hong-Yan. Structures and properties of small bimetallic PdnPbm(n+m≤5) clusters. Acta Physica Sinica,
2006, 55(5): 2241-2248.
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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.
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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
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