| New Application of bond Function Basis Sets──ab initio Calculations of Nonlinear Optical Properties |
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| 作者姓名： | Li Zhi-ru TAO Fu-ming PAN Yuh-kang. FENG Ji-kang WU Di. HUANG Xu-rid SUN Ghia-Chung. |
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| 作者单位： | Department of Chemistry，Jilin University，Changchun，130023，CAina;b $$Department of Chemistry，Harvard University，Chmberidge，MA 02138，USA/Department of Chem |
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| 摘 要： | ＮｅｗＡｐｐｌｉｃａｔｉｏｎｏｆｂｏｎｄＦｕｎｃｔｉｏｎＢａｓｉｓＳｅｔｓ──ａｂｉｎｉｔｉｏＣａｌｃｕｌａｔｉｏｎｓｏｆＮｏｎｌｉｎｅａｒＯｐｔｉｃａｌＰｒｏｐｅｒｔｉｅｓｏｆＣｈ_（４－ｎ）Ｆ_ｎ（ｎ＝１，２，３）ＬｉＺｈｉ－ｒｕ，ＴＡＯＦｕ－ｍｉ...
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