A comparison is presented for the ground state of the helium atom of high order Rayleigh-Schri)dinger perturbation theories based upon a hydrogenic. a screened hydrogenic, a Hartree and a modified Hartree local zero-order hamiltonian. The hydrogenic zero-order schemes are superior tc the Hartree zer
On the helium ground-state Hartree-Fock energy
β Scribed by R. Celeste; H.F.M. da Costa; A.B.F. da Silva; M. Trsic
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 197 KB
- Volume
- 183
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The Hartree-Fork limit for the ground state of the He atom is rediscussed on the basis of the generator-coordinate Hartree-Fock method and the Laplace transform. A numerical solution is implemented which leads to a value of 73 x 1O-'2 hartree below the commonly accepted limit.
π SIMILAR VOLUMES
The Hartrec-Pock problem is i.nvcstig&ed by examining the symmetry properrics of the SC F spin-orbit&. These can be classified ;LS closed-shell, open-sheil or general spin-orbit& accordin:: to the commutation rules satisfied by their one-electron sCF hamiltoniarrs. The effect of symmetry-brcakmg in
Hartree-Fock energies of the ls2 2s 2p ns(4P), ls2 2s 2p np(4P, 4D) and 1 ~2 2 s 2pnd(4P, 4D); n = 3--6 states in the boron isoelectronic sequence are reported. The results show a fairly good agreement with the experimental data of Bromander for 0 IV. Hartree-Fock-Energien der doppelt angeregten Niv