A New Hybrid DFT Approach to Electronic Excitation and First Hyperpolarizabilities of Transition Metal Complexes

	A New Hybrid DFT Approach to Electronic Excitation and First Hyperpolarizabilities of Transition Metal Complexes
	J. Lin, K. C. Wu and M. X. Zhang
刊名	Journal of Computational Chemistry
	2009-10
卷号	30 期号:13 页码:2056-2063
关键词	hybrid exchange functional organometallic molecule conventional density functional optical property nonlinear-optical properties generalized-gradient-approximation density-functional theory quadratic hyperpolarizabilities organometallic complexes dipole-moment exchange functionals correlation energies carbonyl-complexes acceptor groups
ISSN号	0192-8651
收录类别	SCI
原文出处	http://onlinelibrary.wiley.com/store/10.1002/jcc.21200/asset/21200_ftp.pdf?v=1&t=h94x9e2k&s=a14a9001ceeb4340df015ef0916eddfdd7fcfd67
语种	英语
公开日期	2012-11-06
内容类型	期刊论文
源URL	[http://ir.fjirsm.ac.cn/handle/335002/3038]
专题	福建物质结构研究所_中科院福建物质结构研究所_期刊论文
推荐引用方式 GB/T 7714	J. Lin, K. C. Wu and M. X. Zhang. A New Hybrid DFT Approach to Electronic Excitation and First Hyperpolarizabilities of Transition Metal Complexes[J]. Journal of Computational Chemistry,2009,30(13):2056-2063.
APA	J. Lin, K. C. Wu and M. X. Zhang.(2009).A New Hybrid DFT Approach to Electronic Excitation and First Hyperpolarizabilities of Transition Metal Complexes.Journal of Computational Chemistry,30(13),2056-2063.
MLA	J. Lin, K. C. Wu and M. X. Zhang."A New Hybrid DFT Approach to Electronic Excitation and First Hyperpolarizabilities of Transition Metal Complexes".Journal of Computational Chemistry 30.13(2009):2056-2063.