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Li Yuan-Yuan, Hu Zhu-Bin, Sun Hai-Tao, Sun Zhen-Rong.Density functional theory studies on the excited-state properties of Bilirubin molecule. Acta Physica Sinica, 2020, 69(16): 163101.doi:10.7498/aps.69.20200518 |
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Du Jian-Bin, Zhang Qian, Li Qi-Feng, Tang Yan-Lin.Investigation of external electric field effect on C24H38O4 molecule by density functional theory. Acta Physica Sinica, 2018, 67(6): 063102.doi:10.7498/aps.67.20172022 |
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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.doi:10.7498/aps.67.20180808 |
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Hao Dan-Hui, Kong Fan-Jie, Jiang Gang.Structure and potential energy function of PuNO molecules. Acta Physica Sinica, 2015, 64(15): 153103.doi:10.7498/aps.64.153103 |
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Wang Zhi-Ping, Chen Jian, Wu Shou-Yu, Wu Ya-Min.Study of carbon atomic wire C5 in the laser field by time-dependent density functional theory. Acta Physica Sinica, 2013, 62(12): 123302.doi:10.7498/aps.62.123302 |
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Li Song, Han Li-Bo, Chen Shan-Jun, Duan Chuan-Xi.Potential energy function and spectroscopic parameters of SN- molecular ion. Acta Physica Sinica, 2013, 62(11): 113102.doi:10.7498/aps.62.113102 |
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Fan Bing-Bing, Wang Li-Na, Wen He-Jing, Guan Li, Wang Hai-Long, Zhang Rui.Study on the structure of water chain encapsulated in carbon nanotube by density functional theory. Acta Physica Sinica, 2011, 60(1): 012101.doi:10.7498/aps.60.012101 |
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Cui Lei, Wang Xiao-Juan, Wang Fan, Zeng Xiang-Hua.Effect of laser polarization direction on high order harmonic generation of oxygen molecule——A simulation via TDDFT. Acta Physica Sinica, 2010, 59(1): 317-321.doi:10.7498/aps.59.317 |
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Zhang Wei-Hua, Hao Yu-Song, He Chun-Long, Li Jia-Ming, Mo Yu-Xiang.Theoretical study of the molecular super-excited states: assignment and theoretical relative intensities of the photofragment yield spectra for F- from F2 ion-pair production. Acta Physica Sinica, 2009, 58(4): 2328-2335.doi:10.7498/aps.58.2328 |
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Kong Fan-Jie, Du Ji-Guang, Jiang Gang.The structure and potential energy function of PdCO molecule. Acta Physica Sinica, 2008, 57(1): 149-154.doi:10.7498/aps.57.149 |
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Xu Guo-Liang, Lü Wen-Jing, Xiao Xiao-Hong, Zhang Xian-Zhou, Liu Yu-Fang, Zhu Zun-Lue, Sun Jin-Feng.Study on the potential energy function for the ground state （X1Σ+）of SiO molecule by density functional theory. Acta Physica Sinica, 2008, 57(12): 7577-7580.doi:10.7498/aps.57.7577 |
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Zhao Wen-Jie, Lei Xue-Ling, Yan Yu-Li, Yang Zhi, Luo You-Hua.Ground-state structures and stabilities of Zrn(n=2—16) clusters studied with density-functional theory. Acta Physica Sinica, 2007, 56(9): 5209-5215.doi:10.7498/aps.56.5209 |
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Geng Zhen-Duo, Fan Xiao-Wei, Zhang Yan-Song.Structure and potential energy function of the ground state of XY(H, Li, Na). Acta Physica Sinica, 2006, 55(5): 2175-2179.doi:10.7498/aps.55.2175 |
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Cui Lei, Gu Bin, Teng Yu-Yong, Hu Yong-Jin, Zhao Jiang, Zeng Xiang-Hua.Effect of different laser polarization direction on high order harmonic generation of nitrogen molecule——A simulation via TDDFT. Acta Physica Sinica, 2006, 55(9): 4691-4694.doi:10.7498/aps.55.4691 |
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Huang Ping, Zhu Zheng-He.Potentional energy function of CrHn(n=0,+1,+2). Acta Physica Sinica, 2006, 55(12): 6302-6307.doi:10.7498/aps.55.6302 |
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Yan Shi-Ying.The molecular structure and potential energy function of the ground state of BH2 molecule. Acta Physica Sinica, 2006, 55(7): 3408-3412.doi:10.7498/aps.55.3408 |
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Fan Xiao-Wei, Geng Zhen-Duo, Zhang Yan-Song.Structure and potential energy function of the ground state (X2Π) of OH. Acta Physica Sinica, 2005, 54(12): 5614-5617.doi:10.7498/aps.54.5614 |
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Mao Hua-Ping, Wang Hong-Yan, Tang Yong-Jian, Zhu Zheng-He, Zheng Sao-Tao.The effects of charge on the potential energy function and energy levels for Cu2n±(n=0,1,2). Acta Physica Sinica, 2004, 53(1): 37-41.doi:10.7498/aps.53.37 |
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Xue Wei-Dong, Wang Hong-Yan, Zhu Zheng-He, Zhang Guang-Feng, Zhou Le-Xi, Chen Chang-An, Sun Ying.. Acta Physica Sinica, 2002, 51(11): 2480-2484.doi:10.7498/aps.51.2480 |
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TANG YONG-JIAN, ZHAO YONG-KUAN, ZHU ZHENG-HE, FU YI-BEI.POTENTIAL ENERGY FUNCTION AND SPECTRUM CONSTANTS FOR THE B″3Πu STATE OF S2. Acta Physica Sinica, 1998, 47(10): 1600-1605.doi:10.7498/aps.47.1600 |
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