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HF energy and wavefunction, for 2-electron atoms: Z_critical systems and Z = 1 - 18. from Hartree–Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atoms

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Version 2 2020-10-13, 06:38
Version 1 2018-01-05, 12:21
journal contribution
posted on 2018-01-05, 12:21 authored by Andrew W. King, Adam L. Baskerville, Hazel Cox
Energy convergence data and wavefunction coefficients

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    Philosophical Transactions of the Royal Society A: Mathematical, Physical & Engineering Sciences

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    Keywords

    Hartree–Fock theorytwo-electron atomscritical nuclear chargeelectron correlation

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