Toby D. Young, "Numerical Analysis of N-Electron Atomic Statefunctions Using Local Basis Sets," WSEAS Transactions on Mathematics, vol. 16, pp. 412-420, 2017, DOI:
Toby D. Young. Numerical Analysis of N-Electron Atomic Statefunctions Using Local Basis Sets.
WSEAS Transactions on Mathematics. 2017;16:412-420.
WSEAS Transactions on Mathematics
Print ISSN: 1109-2769, E-ISSN: 2224-2880
Volume 16, 2017
Numerical Analysis of N-Electron Atomic Statefunctions Using Local Basis Sets
Author:
Abstract: This contribution presents the numerical analysis of Hartree-Fock’s method of computing electron atomic statefunctions using Galerkin’s finite element method. The underlying theory and computational implementation are presented in some detail for the first time and highly accurate energies are presented for free neutral atoms, ions, and for the spatially confined He atom. The method of using local basis sets is shown to be competitive with global basis sets of the Slater and modified Slater types in terms of accuracy and use.
Pages: 412-420 WSEAS Transactions on Mathematics, ISSN / E-ISSN: 1109-2769 / 2224-2880, Volume 16, 2017, Art. #44 DOI: *As the DOI is a unique identifier, it is already available in the pdf version.
**The DOI link will be activated in the first midst of January 2026.
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