Dynamic dipole polarizabilities for the ground 4 1S and the low-lying 4 1,3P and 5 1,3S excited states of Zn.: Calculation of long-range coefficients of Zn2

被引:19
|
作者
Ellingsen, K [1 ]
Mérawa, M
Rérat, M
Pouchan, C
Gropen, O
机构
[1] Univ Tromso, Fac Sci, Dept Chem, N-9037 Tromso, Norway
[2] Lab Chim Struct, UMR 5624, F-64000 Pau, France
关键词
D O I
10.1088/0953-4075/34/12/302
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Dynamic dipole polarizabilities for the ground 4 S-1 and the low-lying 4 P-1,P-3 and 5 S-1,S-3 excited states of Zn are calculated by the time-dependent gauge-invariant method and compared with other experimental and theoretical results. The wavefunctions are obtained from multi-reference configuration-interaction calculations using a two-electron relativistic pseudopotential. Core-valence polarization is accounted for by the use of a semi-empirical core-valence potential. Core-polarization effects are also considered when calculating the oscillator strengths using a modified dipole transition operator. Long-range coefficients for the molecular states of Zn-2 dissociating into: 4 S-1 + 4 S-1; 4 S-1 + 4 P-3; 4 S-1 + 4 P-1; 4 S-1 + 5 S-1 and 4 S-1 + 5 S-3 are presented.
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页码:2313 / 2323
页数:11
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