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Two-parameter partially correlated ground-state electron density of some light spherical atoms from Hartree-Fock theory with nonintegral nuclear charge
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| Abstract |
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| Partially correlated ground-state electron densities for some spherical light atoms are calculated, into which nonrelativistic ionization potentials represent essential input data. The nuclear cusp condition of Kato is satisfied precisely. The basic theoretical starting point, however, is Hartree-Fock (HF) theory for the N electrons under consideration but with nonintegral nuclear charge Z' slightly different from the atomic number Z (=N). This HF density is scaled with a parameter lambda, near to unity, to preserve normalization. Finally, some tests are performed on the densities for the atoms Ne and Ar, as well as for Be and Mg. | | |
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English
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Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015 | |
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Lancaster, Pa : 2007
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1094-1622 [online]
1050-2947 [print]
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75:5(2007), p. 052502,1-052502,6
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052502
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000246890400079
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E-only publicatie
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