Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10727350 | Physics Letters A | 2013 | 4 Pages |
Abstract
Amovilli and March (2006) [8] used diffusion quantum Monte Carlo techniques to calculate the non-relativistic ionization potential I(Z) in He-like atomic ions for the range of (fractional) nuclear charges Z lying between the known critical value Zc=0.911 at which I(Z) tends to zero and Z=2. They showed that it is possible to fit I(Z) to a simple quadratic expression. Following that idea, we present here a semiempirical fine-tuning of Hartree-Fock ionization potentials for the isoelectronic series of He, Be, Ne, Mg and Ar-like atomic ions that leads to excellent estimations of Zc for these series. The empirical information involved is experimental ionization and electron affinity data. It is clearly demonstrated that Hartree-Fock theory provides an excellent starting point for determining I(Z) for these series.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Physics and Astronomy (General)
Authors
Nicolás A. Cordero, Norman H. March, Julio A. Alonso,