Basisset effects in the DFT calculations of hyperpolarizability

Acta Chimica Sinica

Volumn 62, Issue 6, 2004, Pages 578-582

  Wei, Yong Qin ^a   Wu, Ke Chen ^a   Lin, Cheng Sheng ^a   Mang, Chao Yong ^a   Liu, Ping ^a   Zhang, Ming Xin ^a   Hong, Tao ^a   Zhou, Zhang Feng ^a   Zhuang, Bo Tao ^a  

^a FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

DFT calculation; Diffuse function; Nonlinear optical polarizability

Indexed keywords

EID: 33750477341     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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