Ab Initio Calculation of Transition Moment in Ar-S2 (B3Σu-→X3Σg-) Complex

被引：0

作者：

Gai Zhi-Qiang ^{[1
]}

Yu Jun-Hua ^{[1
]}

Yan Bing ^{[2
]}

Yu Xin ^{[1
]}

Li Rui ^{[2
]}

Pan Shou-Fu ^{[2
]}

Feng Wei ^{[2
]}

Chen De-Ying ^{[1
]}

机构：

[1] Harbin Inst Technol, Natl Key Lab Sci & Technol Tunable Laser, Harbin 150080, Peoples R China

[2] Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China

来源：

CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE | 2010年 / 31卷 / 07期

关键词：

Ar-S-2; complex; Transition dipole moment; Multi-reference configuration interaction; POTENTIAL-ENERGY SURFACE; MECHANISM; SPECTRA;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The Ar-S-2 complex was investigated by the highly correlated multi-reference configuration interaction method. The potential energy curves for Ar-S-2 (X-3 Sigma(-)(g)) and Ar-S-2 (B-3 Sigma(-)(U)) were obtained. The transition moments of S-2 (B-3 Sigma(-)(u) -> X-3 Sigma(-)(g)) dependence of the relative position of Ar atom and S-2 molecule was calculated. The molecular orbitals collapse of S-2 by the Ar atom was analyzed. Effect of the Ar atom on the S-2 molecular radiation which pumped by high voltage fast discharge was further discussed.

引用

页码：1442 / 1445

页数：4

共 19 条

[1] OPTICALLY PUMPED SUPERFLUORESCENCE S-2 MOLECULAR LASER
GIRARDEAUMONTAUT, JP
MOREAU, G
[J]. APPLIED PHYSICS LETTERS, 1980, 36 (07) : 509 - 511
[2] A deperturbation analysis of the B-3 Sigma(-)(u)(v'=0-6) and the B''(3)Pi(u)(v'=2-12) states of S-2
Green, ME
Western, CM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (03): : 848 - 864
[3] The mechanism of the collision-induced enhancement of the a1Δg-X3Σg- and b1Σg+ → a1Δg radiative transitions of O2
Hild, M
Schmidt, R
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (31): : 6091 - 6096
[4] KIIJUNEN T, 2000, J CHEM PHYS, V112, P7475
[5] ELECTRIC-DISCHARGE EFFECTS ON A XECL PUMPED S-2 HEAT-PIPE LASER
KILLEEN, K
GREENBERG, K
VERDEYEN, JT
[J]. APPLIED PHYSICS LETTERS, 1982, 40 (01) : 36 - 37
[6] LOW-TEMPERATURE OPERATION OF AN S-2 LASER USING RADIO-FREQUENCY SIMMER DISCHARGES
KILLEEN, KP
EPLER, JE
VERDEYEN, JT
[J]. IEEE JOURNAL OF QUANTUM ELECTRONICS, 1983, 19 (07) : 1203 - 1209
[7] AN EFFICIENT 2ND-ORDER MC SCF METHOD FOR LONG CONFIGURATION EXPANSIONS
KNOWLES, PJ
WERNER, HJ
[J]. CHEMICAL PHYSICS LETTERS, 1985, 115 (03) : 259 - 267
[8] AN EFFICIENT METHOD FOR THE EVALUATION OF COUPLING-COEFFICIENTS IN CONFIGURATION-INTERACTION CALCULATIONS
KNOWLES, PJ
WERNER, HJ
[J]. CHEMICAL PHYSICS LETTERS, 1988, 145 (06) : 514 - 522
[9] ABINITIO PSEUDOPOTENTIALS FOR HG THROUGH RN .1. PARAMETER SETS AND ATOMIC CALCULATIONS
KUCHLE, W
DOLG, M
STOLL, H
PREUSS, H
[J]. MOLECULAR PHYSICS, 1991, 74 (06) : 1245 - 1263
[10] Li J, 2003, CHEM J CHINESE U, V24, P686

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