The DV-X-alpha calculations of optical spectra and their pressure-induced shifts for ruby

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	The DV-X-alpha calculations of optical spectra and their pressure-induced shifts for ruby
	D. P. Ma; D. E. Ellis; Y. Y. Liu; J. R. Chen
	1997
发表期刊	Communications in Theoretical Physics
ISSN	0253-6102
卷号	28 期号:3 页码:265-270
摘要	The R line and U band at normal pressure and their pressure-induced shifts of ruby have been calculated by making use of the SCF embedded-cluster discrete variational (DV-X-alpha) method. The calculated results of the spectral pressure-induced shifts of ruby by making use of the crystal-field theory have also been given. The results of the first-principle calculations are in very good agreement with the experimental data and the calculated results by using crystal-field theory. The results of local lattice relaxations around the Cr3+ ion are obtained by the DV-X-alpha calculations.
部门归属	chengdu univ sci & technol, dept phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110015, peoples r china. northwestern univ, dept phys & astron, evanston, il 60208 usa.;ma, dp (reprint author), chengdu univ sci & technol, dept phys, chengdu 610065, peoples r china
关键词	Efficient
URL	查看原文
WOS记录号	WOS:000071017200002
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/38046
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. P. Ma,D. E. Ellis,Y. Y. Liu,et al. The DV-X-alpha calculations of optical spectra and their pressure-induced shifts for ruby[J]. Communications in Theoretical Physics,1997,28(3):265-270.
APA	D. P. Ma,D. E. Ellis,Y. Y. Liu,&J. R. Chen.(1997).The DV-X-alpha calculations of optical spectra and their pressure-induced shifts for ruby.Communications in Theoretical Physics,28(3),265-270.
MLA	D. P. Ma,et al."The DV-X-alpha calculations of optical spectra and their pressure-induced shifts for ruby".Communications in Theoretical Physics 28.3(1997):265-270.