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

Author

D. G. Green, Gleb Gribakin, and D. T. Waide

Subjects
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
Abstract

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.

Published
2020