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Journal ArticleDOI

Tables for Determining Atomic Wave Functions and Energies

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TLDR
In this paper, a table has been constructed so that wave functions and energies, for any atomic state having $1s, $2s$ and $2p$ electrons, can be computed by variational means.
Abstract
Tables have been constructed so that wave functions and energies, for any atomic state having $1s$, $2s$ and $2p$ electrons, can be computed by variational means Exchange terms are included, so that singlet and triplet states can be minimized separately By using the tables a state can be calculated in a few hours A few of the possible states have been worked out The best parameters, the total energies and the term values are given for the states $(1{s}^{2})^{1}S,(1s,2s)^{1}S,^{3}S;(1,2p)^{1}P,^{3}P; (1{s}^{2},2s)^{2}S; (1{s}^{2},2p)^{2}P; (1{s}^{2},2{s}^{2})^{1}S; (1{s}^{2},2s,2p)^{1}P,^{3}P; (1{s}^{2},2{p}^{2})^{1}S,^{1}D,^{3}P; (1{s}^{2},2{s}^{2},2p)^{2}P; (1{s}^{2},2{s}^{2},2{p}^{6})^{1}S$; of the atoms He, Li, Be, B, C, N, O, F, Ne, Na and Mg The intramultiplet separations have been computed, including the spin-spin interaction when necessary: the check with experiment being fairly satisfactory By the use of an empirical correction rule, term values can be predicted to within a few hundred wave numbers

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Book ChapterDOI

Very Short Range Interactions of Hydrogen Atoms and Helium Atoms

TL;DR: In this article, the electronic energy of the system H + H in the lowest singlet and triplet states and the system He + He in the ground state, has been calculated by molecular orbital methods for nuclear separations in the range 0 − 1 a.u.
Journal ArticleDOI

An alternative to orthogonalisation of wavefunctions and calculation of X-ray spectral intensities

TL;DR: In this paper, a procedure for employing non-orthogonal wavefunctions without first orthogonalizing them was proposed, and the relative intensities of K alpha 1, K beta 1 and K beta 2 X-ray spectral lines calculated by the proposed method are in fair agreement with available experimental data.
Journal ArticleDOI

Derivation of Interelectronic Screening Parameters from Statistical Considerations

TL;DR: In this paper, the Hartree-Fock method was applied to the Bohr model for the two-electron ion, where the angular momentum of each electron is fixed at one unit and the two electrons constrained to move on the same sphere.
Book ChapterDOI

1 - Complex Atoms

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