Approximate analytical wavefunctions for the iron group elements
- 1 June 1972
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 5 (6) , L124-L128
- https://doi.org/10.1088/0022-3700/5/6/004
Abstract
Radial wavefunctions consisting of two exponentials are proposed to approximate 3d orbitals throughout the iron group series for the 3dm4s1 configuration. The simple form and dependence on atomic number of the functions makes them adapted for any application to molecular and solid state physics.Keywords
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