B-spline basis implementation of the Hartree-Fock method for arbitrary central potentials

D T Waide; D G Green; G F Gribakin

doi:10.1088/1742-6596/1412/13/132029

B-spline basis implementation of the Hartree-Fock method for arbitrary central potentials

D T Waide^*
, D G Green
, G F Gribakin

^*Corresponding author for this work

School of Mathematics and Physics

Research output: Contribution to journal › Article › peer-review

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Abstract

The Hartree-Fock equations are solved using B-splines. Convergence of self-consistency iterations is achieved by turning on the electron interaction gradually. We test the ground and excited-state sets for atoms and an electron gas confined in a harmonic potential and the jellium model of alkali-metal clusters. Comparisons are made with the Thomas-Fermi approximation and dipole polarizabilities are found and compared with experiment.

Original language	English
Article number	132029
Number of pages	1
Journal	Journal of Physics: Conference Series
Volume	1412
Issue number	13
DOIs	https://doi.org/10.1088/1742-6596/1412/13/132029
Publication status	Published - 11 Jun 2020

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10.1088/1742-6596/1412/13/132029Licence: CC BY

B-spline basis implementation of the Hartree-Fock method for arbitrary central potentials
Copyright 2020 the authors. Published under licence by IOP Publishing Ltd This is an open access article published under a Creative Commons Attribution License (https://creativecommons.org/licenses/by/3.0/), which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
Final published version, 374 KBLicence: CC BY

Many-body theory for positron interaction with atoms and atomic clusters
Waide, D. T. (Author), Gribakin, G. (Supervisor) & Green, D. (Supervisor), Jul 2023
Student thesis: Doctoral Thesis › Doctor of Philosophy

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B-spline basis implementation of the Hartree-Fock method for arbitrary central potentials

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Many-body theory for positron interaction with atoms and atomic clusters

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