Accurate computation of screened Coulomb potential integrals in numerical Hartree-Fock programs

DOI10.1016/J.CPC.2019.06.001OpenAlexW2949588281WikidataQ127711930 ScholiaQ127711930MaRDI QIDQ2696527

Li Guang Jiao, Yew Kam Ho, Li Rong Zan, Jia Ma, Lin Zhu

Publication date: 14 April 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2019.06.001

zbMATH Keywords

Hartree-Fock methodscreened Coulomb potentialnumerical integration methodnumerical differentiation method

Mathematics Subject Classification ID

Numerical analysis (65-XX) Statistical mechanics, structure of matter (82-XX)

Related Items (1)

Tsallis entropy: a comparative study for the \(1s^2\)-state of helium atom

Uses Software

• RSCFHF

Cites Work

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• Computation of two-electron screened Coulomb potential integrals in Hylleraas basis sets
• A finite difference Hartree-Fock program for atoms and diatomic molecules
• Screening and wake potentials of a test charge in quantum plasmas
• The MCHF atomic-structure package
• Two-program package to calculate the ground and excited state wave functions in the Hartree-Fock-Dirac approximation
• A comparative study of two-electron systems with screened Coulomb potentials
• A Simplification of the Hartree-Fock Method

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