N-like | |||||
Config. | Terms | ||||
Even | |||||
First Group: E1 | |||||
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2 S /, 2 P /, 2 S /, 4 P / | ||||
Second Group: E2 | |||||
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2 P /, 2 D /, 4 P / | ||||
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2 S / | ||||
Third Group: E3 | |||||
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2 P /, 2 D /, 2 F /, 4 P /, 4 D /, 4 F / | ||||
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2 S /,2 P /,2 D /,2 F /,2 G / | ||||
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4 P / | ||||
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2 D / | ||||
Odd | |||||
First Group: O1 | |||||
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2 P /, 2 D /, 4 P / | ||||
Second Group: O2 | |||||
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2 P / | ||||
Third Group: O3 | |||||
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2 S /, 2 P /, 2 D /, 4 S /, 4 P /, 4 D / | ||||
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2 P /, 2 D /, 2 F / | ||||
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4 S / | ||||
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2 P / |
This example demonstrates the computational steps for the
first Even (E1), or 2 S /, 2 P /, 2 S /
and 4 P / from and first odd groups (O1),
or 2 P /, 2 D / and 4 P / from
.
They cover only the beginning of the spectra of
O II and F III, however it is easy to extend the calculation
for higher Z by modifying the included scripts,
sh_mchf_E1 and sh_mchf_O1. To extend the spectra,
the scripts need to be modified by including the terms
according to 2.1.