THEORY OF ATOMIC STRUCTURE INCLUDING ELECTRON CORRELATION .3. CALCULATIONS OF MULTIPLET OSCILLATOR STRENGTHS AND COMPARISONS WITH EXPERIMENTS FOR C2, NI, N2, N3, O2, O3, O4, F2, NE2, AND NA3

被引:121
作者
WESTHAUS, P
SINANOGLU, O
机构
[1] Department of Physics, Oklahoma State University, Stillwater
[2] Sterling Chemistry Laboratory, Yale University, New Haven
来源
PHYSICAL REVIEW | 1969年 / 183卷 / 01期
关键词
D O I
10.1103/PhysRev.183.56
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The theory of atomic structure developed in the two preceding papers which treats electron correlation accurately in excited as well as ground states is applied to the evaluation of multiplet absorption oscillator strengths for a number of transitions of the type of 1s22s22pn1s22s2pn+1 in CII, NI, NII, NIII, OII, OIII, OIV, FII, NeII, and NaIII. Those types of correlation effects necessary to obtain accurate oscillator strengths are clearly indicated by the theory. The usual improvement on the Restricted Hartree-Fock (RHF) calculation, the mixing of those few configurations nearly degenerate with the RHF configuration, is by itself incapable of bringing the oscillator strengths into agreement with experimental values. All the nondynamical correlation effects given in the first paper of this series must be considered. Very detailed wave functions which contain those important nondynamical correlations were obtained in that paper and here are used to compute oscillator strengths. The results are compared extensively with recent experiments. The calculated values are usually in very good agreement with experimental data. Many more transitions for which no experimental results are yet available are also tabulated here. © 1969 The American Physical Society.
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页码:56 / +
页数:1
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