Abstract
The first ionization energy and the (2s) eigenfunctions of Li are calculated in the Hartree approximation by using a quantum-mechanical repulsive potential. The usefulness of the pseudopotential method is demonstrated.
Резюме
Первая ионизационная энергия и собственные функции (2s) атома Li определяются в приближении Хартри применением квантово-механического отталкивающего потехциала. Демонстрируется полезность псевдопотенциального метода.
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References
P. Gombás, Pseudopotentiale, Springer, Wien, 1967.
P. Gombás, Theor. Chim. Acta (Berlin)5, 112, 1966.
See [1], p. 109.
See e.g.P. Gombás: Theorie und Lösungsmethoden des Mehrteilchenproblems der Wellenmechanik, Birkhäuser, Basel, 1950, p. 163.
Landolt-Börnstein, Atom- und Molekularphysik I. Band, 1. Teil, Springer, Berlin-Göttingen-Heidelberg, 1950, p. 211.
F. Herman andSh. Skillman: Atomic Structure Calculations, Prentice-Hall, Inc. Englewood Cliffs, New Jersey, 1963.
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Kunvári, O. Application of the wave-mechanical repulsive potential in the calculation of the energy of the Li atom. Acta Physica 25, 341–344 (1968). https://doi.org/10.1007/BF03157157
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DOI: https://doi.org/10.1007/BF03157157