https://doi.org/10.1140/epjb/e2016-70194-3
Regular Article
On accurate computations of slowly convergent atomic properties in few-electron ions and electron-electron correlations
1 Department of Applied Mathematics,
University of Western Ontario, London, N6H 5B7
Ontario,
Canada
2 Department of Chemistry, Memorial
University of Newfoundland, St.
John’s, Newfoundland and
Labrador, A1C
5S7, Canada
a e-mail: afrolov@uwo.ca
Received:
29
March
2016
Received in final form:
12
June
2016
Published online:
5
September
2016
We discuss an approach to accurate numerical computations of slowly convergent properties in two-electron atoms/ions which include the negatively charged Ps− (e−e+e−) and H− ions, He atom and positively charged, helium-like ions from Li+ to Ni26+. All these ions are considered in their ground 11S-state(s). The slowly convergent properties selected in this study include the electron-nulceus (r2keN) and electron-electron (r2kee) expectation values for k = 2, 3, 4 and 5.
Key words: Computational Methods
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2016