Multiconfiguration Hartree-Fock Calculations. II. Calculation of the Lowest ${}^{3}P$ , ${}^{1}D$ , and ${}^{1}S$ States of the Carbon Atom

Multiconfiguration Hartree-Fock (MCHF) functions for the lowest

{}^{3}P

{}^{1}D

, and

{}^{1}S

states of carbon are given which include the Hartree-Fock configuration

1 s^{2} 2 p^{4}

, the

1 s^{2} 2 s^{2} 3 l 3 l^{'}

l

l^{'} = 0, 1, 2

configurations, the single-shell replacements

1 s^{2} 2 s 3 d 2 p^{2}

and

1 s^{2} 2 s^{2} 2 p 4 f

, and the double-shell replacements

1 s^{2} 2 s 3 s 2 p 3 p

. For the

{}^{3}P

and

{}^{1}D

states the single replacement

1 s^{2} 2 s 3 d 2 p^{2}

is as important as the

1 s^{2} 2 p^{4}

configuration, but this replacement is much less important than the quasidegenerate configuration

1 s^{2} 2 p^{4}

in the

{}^{1}S

state. Intershell correlation represented by the

1 s^{2} 2 s 3 s 2 p 3 p

configuration is more important than the intrashell correlation represented by the

1 s^{2} 2 s^{2} 3 l 3 l^{'}

configurations in the

{}^{3}P

and

{}^{1}D

states but somewhat less so in the

{}^{1}S

state. The best MCHF functions give about 70% of the total correlation energy of the

2 s

and

2 p

shells. The calculated ratio of...

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Multiconfiguration Hartree-Fock Calculations. II. Calculation of the LowestP3,D1, andS1States of the Carbon Atom