Toward fully numerical evaluation of momentum space HF wave functions. Numerical experiments on the He atom

Joseph Delhalle, [No Value] DEFRANCESCHI

Research output: Contribution to journalArticle

Abstract

Direct evaluation of momentum space Hartree–Fock wave functions require accurate numerical integrations. The purpose of this computer experimentation with the Gauss–Legendre method is to examine the sensitivity of calculated properties on the truncation of the interval of integration for the radial variable.
Original languageEnglish
Pages (from-to)425-433
Number of pages9
JournalInternational Journal of Quantum Chemistry
Volume32
Issue numberS21
DOIs
Publication statusPublished - 1987

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