Ab initio calculation of transition moment in Ar-S2(B3∑u- →X3∑g-) complex

Zhi Qiang Gai; Jun Hua Yu; Bing Yan; Xin Yu; Rui Li; Shou Fu Pan; Wei Feng; De Ying Chen

Ab initio calculation of transition moment in Ar-S₂(B³∑_u^- →X³∑_g^-) complex

Zhi Qiang Gai
, Jun Hua Yu^*
, Bing Yan
, Xin Yu
, Rui Li
, Shou Fu Pan
, Wei Feng
, De Ying Chen

^*Corresponding author for this work

School of Astronautics

Harbin Institute of Technology
Jilin University

Research output: Contribution to journal › Article › peer-review

Abstract

The Ar-S₂ complex was investigated by the highly correlated multi-reference configuration interaction method. The potential energy curves for Ar-S₂(X³∑_g^-) and Ar-S₂(B³∑_u^-) were obtained. The transition moments of S₂(B³∑_u^- →X³∑_g^-) dependence of the relative position of Ar atom and S₂ molecule was calculated. The molecular orbitals collapse of S₂ by the Ar atom was analyzed. Effect of the Ar atom on the S₂ molecular radiation which pumped by high voltage fast discharge was further discussed.

Original language	English
Pages (from-to)	1442-1445
Number of pages	4
Journal	Gaodeng Xuexiao Huaxue Xuebao/Chemical Journal of Chinese Universities
Volume	31
Issue number	7
State	Published - Jul 2010

Keywords

Ar-S complex
Multi-reference configuration interaction
Transition dipole moment

Cite this

@article{2e49576f2bdc49a2980456381430afcb,

title = "Ab initio calculation of transition moment in Ar-S2(B3∑u- →X3∑g-) complex",

abstract = "The Ar-S2 complex was investigated by the highly correlated multi-reference configuration interaction method. The potential energy curves for Ar-S2(X3∑g-) and Ar-S2(B3∑u-) were obtained. The transition moments of S2(B3∑u- →X3∑g-) dependence of the relative position of Ar atom and S2 molecule was calculated. The molecular orbitals collapse of S2 by the Ar atom was analyzed. Effect of the Ar atom on the S2 molecular radiation which pumped by high voltage fast discharge was further discussed.",

keywords = "Ar-S complex, Multi-reference configuration interaction, Transition dipole moment",

author = "Gai, \{Zhi Qiang\} and Yu, \{Jun Hua\} and Bing Yan and Xin Yu and Rui Li and Pan, \{Shou Fu\} and Wei Feng and Chen, \{De Ying\}",

year = "2010",

month = jul,

language = "英语",

volume = "31",

pages = "1442--1445",

journal = "Gaodeng Xuexiao Huaxue Xuebao/Chemical Journal of Chinese Universities",

issn = "0251-0790",

publisher = "Higher Education Press Limited Company",

number = "7",

}

TY - JOUR

T1 - Ab initio calculation of transition moment in Ar-S2(B3∑u- →X3∑g-) complex

AU - Gai, Zhi Qiang

AU - Yu, Jun Hua

AU - Yan, Bing

AU - Yu, Xin

AU - Li, Rui

AU - Pan, Shou Fu

AU - Feng, Wei

AU - Chen, De Ying

PY - 2010/7

Y1 - 2010/7

N2 - The Ar-S2 complex was investigated by the highly correlated multi-reference configuration interaction method. The potential energy curves for Ar-S2(X3∑g-) and Ar-S2(B3∑u-) were obtained. The transition moments of S2(B3∑u- →X3∑g-) dependence of the relative position of Ar atom and S2 molecule was calculated. The molecular orbitals collapse of S2 by the Ar atom was analyzed. Effect of the Ar atom on the S2 molecular radiation which pumped by high voltage fast discharge was further discussed.

AB - The Ar-S2 complex was investigated by the highly correlated multi-reference configuration interaction method. The potential energy curves for Ar-S2(X3∑g-) and Ar-S2(B3∑u-) were obtained. The transition moments of S2(B3∑u- →X3∑g-) dependence of the relative position of Ar atom and S2 molecule was calculated. The molecular orbitals collapse of S2 by the Ar atom was analyzed. Effect of the Ar atom on the S2 molecular radiation which pumped by high voltage fast discharge was further discussed.

KW - Ar-S complex

KW - Multi-reference configuration interaction

KW - Transition dipole moment

UR - https://www.scopus.com/pages/publications/77955800762

M3 - 文章

AN - SCOPUS:77955800762

SN - 0251-0790

VL - 31

SP - 1442

EP - 1445

JO - Gaodeng Xuexiao Huaxue Xuebao/Chemical Journal of Chinese Universities

JF - Gaodeng Xuexiao Huaxue Xuebao/Chemical Journal of Chinese Universities

IS - 7

ER -

Ab initio calculation of transition moment in Ar-S₂(B³∑_u^- →X³∑_g^-) complex

Abstract

Keywords

Other files and links

Fingerprint

Cite this