A nonlinear field theoretical method of determining the one-electron energies of a neutral zinc atom
UNSPECIFIED (1996) A nonlinear field theoretical method of determining the one-electron energies of a neutral zinc atom. PHYSICS LETTERS A, 221 (1-2). pp. 56-64. ISSN 0375-9601Full text not available from this repository.
The method of coherent structures has been used to determine the one-electron energies of a neutral zinc atom. Spatial correlations have been incorporated with an ensemble technique and the fermionic statistics restored to this semiclassical approach via the choice of classical field. This latter we interpret as a coherent state envelope which determines the effective potential for the calculation of quantum energies. We have introduced a parameter, mu, which is a measure of the Coulomb repulsion. Only when mu < mu(o), a critical value, do we obtain physically acceptable normalisable bound charge states for certain discrete values of mu. We have calculated shell energies and energy orderings within each shell and obtained good agreement with those calculated using a standard Hartree-Fock method. The coefficients required to do this agree well with trends in the Slater parameter F-o (2s, 2p) as a function of Z as well as Moseley's law. Agreement is also obtained with the first principles form of the charge density as given by Kato's theorem and at larger distances from the nucleus.
|Item Type:||Journal Article|
|Subjects:||Q Science > QC Physics|
|Journal or Publication Title:||PHYSICS LETTERS A|
|Publisher:||ELSEVIER SCIENCE BV|
|Date:||23 September 1996|
|Number of Pages:||9|
|Page Range:||pp. 56-64|
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