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

Autor:	D. G. Green, Gleb Gribakin, D. T. Waide
Jazyk:	angličtina
Rok vydání:	2020
Předmět:	Physics Condensed Matter::Quantum Gases Paper History Basis (linear algebra) B-spline Jellium Hartree–Fock method Harmonic potential Computer Science Applications Education Dipole Quantum mechanics Convergence (routing) Physics::Atomic and Molecular Clusters Physics::Atomic Physics Fermi gas
Zdroj:	Waide, D T, Green, D G & Gribakin, G F 2020, ' B-spline basis implementation of the Hartree-Fock method for arbitrary central potentials ', Journal of Physics: Conference Series, vol. 1412, no. 13, 132029 . https://doi.org/10.1088/1742-6596/1412/13/132029
DOI:	10.1088/1742-6596/1412/13/132029
Popis:	Synopsis 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.
Databáze:	OpenAIRE
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