LOWEST ORDER RELATIVISTIC CORRECTIONS TO THE ENERGIES OF THE B-1-SIGMA(U) STATE OF H-2

被引:18
作者
WOLNIEWICZ, L [1 ]
机构
[1] NICHOLAS COPERNICUS UNIV,INST PHYS,PL-87100 TORUN,POLAND
关键词
D O I
10.1016/0009-2614(94)01493-F
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The lowest order relativistic corrections to the electronic energies have been computed for the B (1) Sigma(u) state of H-2 in the interval 1.0 less than or equal to R less than or equal to 30 a(0). The total correction at the equilibrium separation, R = 2.43 a(0) amounts to -2.126 cm(-1). The absolute shifts of the vibrational levels of H-2 change monotonically with v for v less than or equal to 27 from -2.090 to -1.538 cm(-1) as compared with the -1.918 cm(-1) shift of the dissociation limit. The computed shifts are used to place the v = 0 levels of H-2 and D-2 on a absolute energy scale and a comparison with experiment is performed.
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页码:647 / 650
页数:4
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