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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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Journal ArticleDOI

CX. The spatial correlation of electrons in atoms and molecules : II—Two-electron systems in excited states

TL;DR: In this paper, the authors extended the treatment of the ground state of helium and similar two-electron systems, given in Part I, to excited states which are not spherically symmetric.
Journal ArticleDOI

Evidence for energy regularity in the Mendeleev periodic table

TL;DR: The dependence of the total energy of the atoms on their atomic number can follow a q -exponential (as proposed by C. Tsallis) for practically all elements of the periodic table.
Journal ArticleDOI

Zur Verwendung der vollständigen Laguerre-Funktionen bei quantenchemischen Rechnungen

TL;DR: The Schrodinger-Gleichung des Wasserstoffatoms wird in einer Matrixdarstellung unter Benutzung eines Satzes assoziierter Laguerre-Funktionen (7) als Basis gelost.
Journal ArticleDOI

K Band in KCl:Na and KCl:Li Crystals

TL;DR: In this article, the potentials of Li + and Na + ions were derived using the Simpson and Krumhansl-Schwartz method for the K band of F A center.
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