<trans-title xml:lang="en">Theoretical study on electronic structure and transition properties of excited states for SeH<sup>+</sup> anion </trans-title>

原子态	Λ–S态	相对能量/cm^–1
原子态	Λ–S态	本文工作^a
^a同一离解极限对应的所有电子态的平均能量.
Se⁺(⁴S_u) + H(²S_g)	^{3, 5}Σ^–	0
Se⁺(²D_u) + H(²S_g)	^{1, 3}Σ^–, ^{1, 3}Π, ^{1, 3}Δ	13590.3
Se⁺(²P_u) + H(²S_g)	^{1, 3}Σ⁺, ^{1, 3}Π	22896.5

Table 2.
Spectroscopic constants of the Λ–S states of SeH⁺.
SeH⁺离子Λ—S态的光谱常数

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Table 2.
Spectroscopic constants of the Λ–S states of SeH⁺.
SeH⁺离子Λ—S态的光谱常数

电子态	R_e/Å	ω_e/cm^–1	ω_eχ_e/cm^–1	B_e/cm^–1	D_e/eV	T_e/cm^–1
X³Σ^–	1.4659	2387.48	45.81	7.8816	3.369	0
	1.474^[11]
a¹Δ	1.4642	2393.52	40.79	7.8999	3.920	9179.3
b¹Σ⁺	1.4622	2406.68	40.39	7.9224	4.006	17761.9
1⁵Σ^–	3.5894	152.17	25.85	1.3340	0.030	26930.2
A³Π	1.6395	1505.52	57.16	6.2961	1.207	30953.8
c¹Π	1.8168	989.95	59.14	5.1488	0.515	36530.2
B³Σ^–	2.8262	490.08	47.96	2.1460	0.157	39522.1
1¹Σ^–	3.6892	162.98	19.18	1.2109	0.042	40461.9
1³Δ	3.5593	139.94	20.44	1.2964	0.030	40552.3
2³Π	2.6009	603.15	50.66	2.5253	0.223	48259.6
2¹Π	2.7701	400.92	43.54	2.2291	0.116	49124.6
1³Σ⁺	3.6000	151.41	25.73	1.3258	0.029	49835.4

Table 3.
Spectroscopic constants of the low-lying states for the Ⅵ hydride cations.
第Ⅵ主簇氢化物正离子低电子态的光谱常数

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Table 3.
Spectroscopic constants of the low-lying states for the Ⅵ hydride cations.
第Ⅵ主簇氢化物正离子低电子态的光谱常数

离子	文献	电子态	R_e /Å	ω_e /cm^–1	ω_eχ_e /cm^–1	B_e /cm^–1	D_e /eV	T_e /cm^–1
SH⁺	[13]	X³Σ^–	1.361	2555.2	49.00	9.279	3.488	0
	[13]	a¹Δ	1.362	2567.2	47.48	9.285	4.102	10186.7
	[13]	b¹Σ⁺	1.362	2576.7	47.34	9.298	4.208	18881.3
TeH⁺	[14]	X³Σ^–	1.6425	2147.8	36.23	6.2351	2.846	0
	[14]	a¹Δ	1.6404	2171.0	36.57	6.2547	3.287	7590
	[14]	b¹Σ⁺	1.6383	2184.2	36.24	6.2711	3.351	15467

Table 4.
Dissociation relationships of Ω states of SeH⁺.
SeH⁺离子Ω 态的离解关系

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Table 4.
Dissociation relationships of Ω states of SeH⁺.
SeH⁺离子Ω 态的离解关系

原子态	Ω态	相对能量/cm^–1
原子态	Ω态	本文工作	文献^[9]^a	实验值^[10]
^a根据文献[9]的计算数据推导得到.
Se⁺(⁴S_3/2) + H(²S_1/2)	2, 1, 1, 0⁺, 0^–	0	0	0
Se⁺(²D_3/2) + H(²S_1/2)	2, 1, 1, 0⁺, 0^–	13189.0	17745	13168.2
Se⁺(²D_5/2) + H(²S_1/2)	3, 2, 2, 1, 1, 0⁺, 0^–	13806.5	18347	13784.4
Se⁺(²P_1/2) + H(²S_1/2)	1, 0⁺, 0^–	23115.9		23038.3
Se⁺(²P_3/2) + H(²S_1/2)	2, 1, 1, 0⁺, 0^–	23928.7		23894.8

Table 5.
Spectroscopic constants of the Ω states of SeH⁺.
SeH⁺离子Ω态的光谱常数

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Table 5.
Spectroscopic constants of the Ω states of SeH⁺.
SeH⁺离子Ω态的光谱常数

电子态		R_e /Å	ω_e /cm^–1	ω_eχ_e /cm^–1	B_e /cm^–1	D_e /eV	T_e /cm^–1
X₁0⁺		1.4661	2385.56	45.66	7.8802	3.380	0
X₂1		1.4662	2386.15	46.02	7.8790	3.348	252.4
a2	第一势阱	1.4645	2392.76	41.29	7.8967	2.525	9408.2
a2	第二势阱	3.5800	168.60	33.67	1.3399	0.030	27016.9
b0⁺		1.4631	2406.94	44.20	7.9127	2.758	18213.8
A₁2	第一势阱	1.6418	1396.10	53.29	6.3333	0.340	30201.1
A₁2	第二势阱	2.4132	2295.44	131.22	2.9938	1.262	30248.9
A₂1	第一势阱	1.6457	1381.37	53.81	6.3229	0.329	31060.0
A₂1	第二势阱	3.5900	152.22	25.81	1.3353	0.030	27018.9
A₃0^–	第一势阱	1.6429	1391.28	55.78	6.3715	0.307	32273.5
A₃0^–	第二势阱	3.6000	151.93	25.77	1.3339	0.030	27019.3
A₄0⁺	第一势阱	1.6368	1385.24	18.09	6.3123	0.962	32473.0
A₄0⁺	第二势阱	2.7918	676.20	90.61	2.1897	0.167	39685.4
c1	第一势阱	1.8161	—	—	—	0.044	36979.9
c1	第二势阱	2.1793	1781.89	149.33	3.5614	0.687	34921.9

Table 6. Franck-Condon Factors, Emission rates (unit of s^–1) and radiative lifetimes τ (unit of ns) of the and transitions.

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Table 6. Franck-Condon Factors, Emission rates (unit of s^–1) and radiative lifetimes τ (unit of ns) of the and transitions.

跃迁	ν'	ν''= 0	ν'' = 1	ν'' = 2	ν'' = 3	ν'' = 4	ν'' = 5	ΣA	τ = 1/(ΣA)
$ {\rm A^3}\Pi \leftrightarrow {\rm X^3}{\Sigma ^ - }$	0	0.4079	0.3685	0.1666	0.0470	0.0088	0.0011	1339434	746.6
$ {\rm A^3}\Pi \leftrightarrow {\rm X^3}{\Sigma ^ - }$	1	0.3271	0.0013	0.2122	0.2713	0.1398	0.0405	1310290	763.2
$ {\rm A_2}1 \leftrightarrow {\rm X_1}{0^ + }$	0	0.3841	0.3688	0.1787	0.0549	0.0116	0.0017	1269392	787.8
$ {\rm A_2}1 \leftrightarrow {\rm X_1}{0^ + }$	1	0.3186	0.0001	0.1761	0.2695	0.1629	0.0558	1212188	825.0

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Ya-Wen Hua, Yi-Liang Liu, Ming-Jie Wan. Theoretical study on electronic structure and transition properties of excited states for SeH⁺ anion [J]. Acta Physica Sinica, 2020, 69(15): 153101-1

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Paper Information

Category:

Received: Feb. 24, 2020

Accepted: --

Published Online: Dec. 30, 2020

The Author Email:

DOI:10.7498/aps.69.20200278

Topics

Nuclear physics

Particles and fields

Particle and nuclear astrophysics and cosmology

Table 1. Dissociation relationships of Λ－S states of SeH+. SeH+离子Λ—S态的离解关系

Table 1. Dissociation relationships of Λ－S states of SeH+. SeH+离子Λ—S态的离解关系

Table 2. Spectroscopic constants of the Λ–S states of SeH+. SeH+离子Λ—S态的光谱常数

Table 2. Spectroscopic constants of the Λ–S states of SeH+. SeH+离子Λ—S态的光谱常数

Table 3. Spectroscopic constants of the low-lying states for the Ⅵ hydride cations.第Ⅵ主簇氢化物正离子低电子态的光谱常数

Table 3. Spectroscopic constants of the low-lying states for the Ⅵ hydride cations.第Ⅵ主簇氢化物正离子低电子态的光谱常数

Table 4. Dissociation relationships of Ω states of SeH+. SeH+离子Ω 态的离解关系

Table 4. Dissociation relationships of Ω states of SeH+. SeH+离子Ω 态的离解关系

Table 5. Spectroscopic constants of the Ω states of SeH+. SeH+离子Ω态的光谱常数

Table 5. Spectroscopic constants of the Ω states of SeH+. SeH+离子Ω态的光谱常数

Table 6. Franck-Condon Factors, Emission rates (unit of s–1) and radiative lifetimes τ (unit of ns) of the and transitions.

Table 6. Franck-Condon Factors, Emission rates (unit of s–1) and radiative lifetimes τ (unit of ns) of the and transitions.

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Table 1.
Dissociation relationships of Λ－S states of SeH⁺.
SeH⁺离子Λ—S态的离解关系

Table 1.
Dissociation relationships of Λ－S states of SeH⁺.
SeH⁺离子Λ—S态的离解关系

Table 2.
Spectroscopic constants of the Λ–S states of SeH⁺.
SeH⁺离子Λ—S态的光谱常数

Table 2.
Spectroscopic constants of the Λ–S states of SeH⁺.
SeH⁺离子Λ—S态的光谱常数

Table 3.
Spectroscopic constants of the low-lying states for the Ⅵ hydride cations.
第Ⅵ主簇氢化物正离子低电子态的光谱常数

Table 3.
Spectroscopic constants of the low-lying states for the Ⅵ hydride cations.
第Ⅵ主簇氢化物正离子低电子态的光谱常数

Table 4.
Dissociation relationships of Ω states of SeH⁺.
SeH⁺离子Ω 态的离解关系

Table 4.
Dissociation relationships of Ω states of SeH⁺.
SeH⁺离子Ω 态的离解关系

Table 5.
Spectroscopic constants of the Ω states of SeH⁺.
SeH⁺离子Ω态的光谱常数

Table 5.
Spectroscopic constants of the Ω states of SeH⁺.
SeH⁺离子Ω态的光谱常数

Table 6. Franck-Condon Factors, Emission rates (unit of s^–1) and radiative lifetimes τ (unit of ns) of the and transitions.

Table 6. Franck-Condon Factors, Emission rates (unit of s^–1) and radiative lifetimes τ (unit of ns) of the and transitions.