Generalized oscillator strengths of the low-lying valence-shell excitations of N-2, O-2, and C2H2 studied by fast electron and inelastic x-ray scattering

doi:10.1063/1.5087603

	Generalized oscillator strengths of the low-lying valence-shell excitations of N-2, O-2, and C2H2 studied by fast electron and inelastic x-ray scattering
	Zhu, Lin-Fan 1,3,4; Wu, Yong 2; Huang, Xin-Chao 1,3,4; Wang, Shu-Xing 1,3,4; Xiong, Tao 1,3,4; Peng, Yi-Geng 2; Liu, Ya-Wei 1,3,4
刊名	JOURNAL OF CHEMICAL PHYSICS
	2019-03-07
卷号	150 期号:9 页码:6
ISSN号	0021-9606
DOI	10.1063/1.5087603
通讯作者	Zhu, Lin-Fan(lfzhu@ustc.edu.cn)
英文摘要	The generalized oscillator strengths of the low-lying valence-shell excitations of N-2, O-2, and C2H2 have been studied by the high-energy electron scattering, the high-resolution inelastic X-ray scattering, and the multireference single- and double-excitation configuration interaction methods. Good agreement between the present electron-scattering results and the X-ray-scattering ones for the a '' Sigma(+)(g) (v'=0) and a ''(n) Sigma(+)(g) (v' = 1) + b'Pi(u) (v'=0) excitations of N-2 and the A'(3) Delta(u), excitation of O-2 is achieved in the small squared momentum transfer region, while obvious discrepancies among them are observed in the large squared momentum transfer region. This phenomenon indicates that the first Born approximation is satisfied in the small squared momentum transfer region, while it does not hold in the large squared momentum transfer region at an incident electron energy of 1500 eV, in view of the fact that the first Born approximation is satisfied in the X-ray scattering. In addition, the present calculation for the a ''(n) Sigma(+)(g) excitation shows that the traditional assigned v' = 0 and 1 of the a ''(n) Sigma(+)(g) excitation correspond to v' = 9 and 13 of the 2(1) Sigma(+)(g) excitation and reproduces the X-ray-scattering results of the a ''(n) Sigma(+)(g)(v' = 0) excitation very well except the ones in the small squared momentum transfer region. We also report the generalized oscillator strengths of the (A) over tilde + (B) over tilde excitations of C2H2, and its profile shows that the bending geometry has great influence on the transition feature. Published under license by AIP Publishing.
资助项目	National Key Research and Development Program of China[2017YFA0303500] ; National Natural Science Foundation of China[U1732133]
WOS关键词	DIFFERENTIAL CROSS-SECTIONS ; IMPACT EXCITATION ; HERZBERG PSEUDOCONTINUUM ; FORBIDDEN TRANSITIONS ; ACETYLENE ; STATE
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000460786600019
资助机构	National Key Research and Development Program of China ; National Natural Science Foundation of China
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/134576]
专题	中国科学院近代物理研究所
通讯作者	Zhu, Lin-Fan
作者单位	1.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China 2.Inst Appl Phys & Computat Math, Data Ctr High Energy Dens Phys, POB 8009, Beijing 100088, Peoples R China 3.Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum P, Hefei 230026, Anhui, Peoples R China 4.Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China
推荐引用方式 GB/T 7714	Zhu, Lin-Fan,Wu, Yong,Huang, Xin-Chao,et al. Generalized oscillator strengths of the low-lying valence-shell excitations of N-2, O-2, and C2H2 studied by fast electron and inelastic x-ray scattering[J]. JOURNAL OF CHEMICAL PHYSICS,2019,150(9):6.
APA	Zhu, Lin-Fan.,Wu, Yong.,Huang, Xin-Chao.,Wang, Shu-Xing.,Xiong, Tao.,...&Liu, Ya-Wei.(2019).Generalized oscillator strengths of the low-lying valence-shell excitations of N-2, O-2, and C2H2 studied by fast electron and inelastic x-ray scattering.JOURNAL OF CHEMICAL PHYSICS,150(9),6.
MLA	Zhu, Lin-Fan,et al."Generalized oscillator strengths of the low-lying valence-shell excitations of N-2, O-2, and C2H2 studied by fast electron and inelastic x-ray scattering".JOURNAL OF CHEMICAL PHYSICS 150.9(2019):6.