Perturbation Theory of the Hooke's Law Model for the Two-Electron Atom

The Hooke model for the two-electron atom replaces the electron–nuclear interaction by a harmonic oscillator potential, but retains the Coulomb repulsion of the electrons. The first-order perturbation equation for the electron repulsion is solved analytically, and the exact first-, second-, and thir...

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Veröffentlicht in:J. Chem. Phys. 53: 3869-79(15 Nov 1970) 1970, Vol.53 (10), p.3869-3879
Hauptverfasser: White, Ronald J., Brown, W. Byers
Format: Artikel
Sprache:eng
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Zusammenfassung:The Hooke model for the two-electron atom replaces the electron–nuclear interaction by a harmonic oscillator potential, but retains the Coulomb repulsion of the electrons. The first-order perturbation equation for the electron repulsion is solved analytically, and the exact first-, second-, and third-order perturbation energies are obtained. A similar Z−1 perturbation treatment is carried out for the Hartree–Fock equation and other variational approximations. The Z−1 expansion of the correlation energy is compared with that for heliumlike atoms and found to be similar.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1673854