EIGENVALUES AND EXPECTATION VALUES FOR THE 1S(2)2S S-2, 1S(2)2P P-2, AND 1S(2)3D D-2 STATES OF LITHIUM

被引:154
作者
YAN, ZC
DRAKE, GWF
机构
[1] Department of Physics, University of Windsor, Windsor
来源
PHYSICAL REVIEW A | 1995年 / 52卷 / 05期
关键词
D O I
10.1103/PhysRevA.52.3711
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
High-precision variational eigenvalues for the 1s(2)2s S-2, 1s(2)2p P-2, and 1s(2)3d D-2 states of lithium are calculated using multiple basis sets in Hylleraas coordinates. Convergence to a few parts in 10(10)-10(11) is achieved. The nonrelativistic energies for infinite nuclear mass are -7.478 060 323 10(31) a.u. for the 1s(2)2s S-2 state, -7.410 156 521 8(13) a.u. for the 1s(2)2p P-2 state, and -7.335 523 541 10(43) a.u. for the 1s(2)3d D-2 state. The corresponding specific isotope shifts due to mass polarization are also calculated with similar accuracy. The 1s(2)2s S-2-1s(2)2p P-2 and 1s(2)2p P-2-1s(2)3d D-2 transition energies for Li-7 and Li-6, as well as the isotope shifts, are calculated and compared with experiment. The results yield an improved ionization potential for lithium of 43 487.167(4) cm(-1). Expectation values of powers of r(i) and r(ij) and the delta functions delta(r(i)) and delta(r(ij)) are evaluated.
引用
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页码:3711 / 3717
页数:7
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