Accurate adiabatic potentials of the two lowest 1Σg states of He22+

被引:13
作者
Wolniewicz, L [1 ]
机构
[1] Nicholas Copernicus Univ, Inst Phys, PL-87100 Torun, Poland
关键词
D O I
10.1088/0953-4075/32/9/315
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Accurate, explicitly correlated variational wavefunctions are constructed for the two lowest (1)Sigma(g) states of He-2(2+). Born-Oppenheimer potentials, adiabatic corrections and non-adiabatic couplings between both states are computed for internuclear separations from 0.4 to 25.0 a(0). The Born-Oppenheimer potentials are compared with existing published results and, in the case of the ground state, disturbing discrepancies are found. It is argued that some of the generally accepted results in the literature are numerically inaccurate. Approximate positions of the lowest resonances in the electronic ground state are determined and it is shown that adiabatic corrections strongly affect these positions.
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页码:2257 / 2266
页数:10
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