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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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Zhao Yu-Na, Cong Hong-Lu, Cheng Shuang, Yu Na, Gao Tao, Ma Jun-Gang. First-principles study of lattice dynamical and thermodynamic properties of Li2NH. Acta Physica Sinica,
2019, 68(13): 137102.
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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.
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Sun Jian-Ping, Zhou Ke-Liang, Liang Xiao-Dong. Density functional study on the adsorption characteristics of O, O2, OH, and OOH of B-, P-doped, and B, P codoped graphenes. Acta Physica Sinica,
2016, 65(1): 018201.
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Hu Cui-E, Zeng Zhao-Yi, Cai Ling-Cang. Dynamic stability of Zr under high pressure and high temperature. Acta Physica Sinica,
2015, 64(4): 046401.
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Sun Jian-Ping, Miao Ying-Meng, Cao Xiang-Chun. Density functional theory studies of O2 and CO adsorption on the graphene doped with Pd. Acta Physica Sinica,
2013, 62(3): 036301.
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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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Xin Xiao-Gui, Chen Xiang, Zhou Jing-Jing, Shi Si-Qi. A first principles study of the lattice dynamics property of LiFePO4. Acta Physica Sinica,
2011, 60(2): 028201.
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Li Xue-Mei, Han Hui-Lei, He Guang-Pu. Lattice dynamical, dielectric and thermodynamic properties of LiNH2 from first principles. Acta Physica Sinica,
2011, 60(8): 087104.
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Li Pei-Juan, Zhou Wei-Wei, Tang Yuan-Hao, Zhang Hua, Shi Si-Qi. Electronic structure，optical and lattice dynamical properties of CeO2：A first-principles study. Acta Physica Sinica,
2010, 59(5): 3426-3431.
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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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Huang Liang-Feng, Li Yan-Ling, Ni Mei-Yan, Wang Xian-Long, Zhang Guo-Ren, Zeng Zhi. Lattice dynamics of hydrogen-substituted graphene systems. Acta Physica Sinica,
2009, 58(13): 306-S312.
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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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Jiao Yu-Qiu, Zhao Kun, Lu Gui-Wu. Density functional theory studies on spectral properties of H3PAuPh and (H3PAu)2(1,4-C6H4)2. Acta Physica Sinica,
2008, 57(3): 1592-1598.
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Wang Hui, Feng Min, Cao Xue-Wei, Wang Yu-Fang, Jin Qing-Hua, Ding Da-Tong, Lan Guo-Xiang. Lattice dynamics of single wall BC3 nanotubes. Acta Physica Sinica,
2008, 57(8): 5143-5150.
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Mao Hua-Ping, Yang Lan-Rong, Wang Hong-Yan, Zhu Zheng-He, Tang Yong-Jian. Calculation of ionization potential and geometry of small yttrium metal clusters. Acta Physica Sinica,
2005, 54(11): 5126-5129.
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Zhao Ming-Wen, Xia Yue-Yuan, Ma Yu-Chen, Liu Xiang-Dong, Ying Min-Ju. . Acta Physica Sinica,
2002, 51(11): 2440-2445.
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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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