Basisset Effects in the DFT Calculations of Hyperpolarizability

Acta Chimica Sinica ›› 2004, Vol. 62 ›› Issue (6): 578-582. Previous Articles Next Articles

非线性光学极化率密度泛函理论计算的基组效应

韦永勤, 吴克琛, 林晨升, 莽朝永, 刘萍, 张明昕, 洪涛, 周张锋, 庄伯涛

中国科学院福建物质结构研究所, 结构化学国家重点实验室, 福州, 350002

投稿日期:2003-05-08 修回日期:2003-11-25 发布日期:2014-02-18
通讯作者: 吴克琛,E-mail:wkc@ms.fjirsm.ac.cn E-mail:wkc@ms.fjirsm.ac.cn
基金资助:
国家自然科学基金(Nos.69978021,20173064,90203017)、福建省自然科学基金(No.E9930100)资助项目.

Basisset Effects in the DFT Calculations of Hyperpolarizability

WEI Yong-Qin, WU Ke-Chen, LIN Cheng-Sheng, MANG Chao-Yong, LIU Ping, ZHANG Ming-Xin, HONG Tao, ZHOU Zhang-Feng, ZHUANG Bo-Tao

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 35002

Received:2003-05-08 Revised:2003-11-25 Published:2014-02-18

Cite this article

WEI Yong-Qin, WU Ke-Chen, LIN Cheng-Sheng, MANG Chao-Yong, LIU Ping, ZHANG Ming-Xin, HONG Tao, ZHOU Zhang-Feng, ZHUANG Bo-Tao. Basisset Effects in the DFT Calculations of Hyperpolarizability[J]. Acta Chimica Sinica, 2004, 62(6): 578-582.

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非线性光学极化率密度泛函理论计算的基组效应

Basisset Effects in the DFT Calculations of Hyperpolarizability

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