Highly accurate numerical solution of Hartree–Fock equation with pseudospectral method for closed-shell atoms
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DOI: 10.1007/s10910-020-01144-z
Abstract: The Hartree–Fock (HF) equation for atoms with closed (sub)shells is transformed with the pseudospectral (PS) method into a discrete eigenvalue equation for scaled orbitals on a finite radial grid. The Fock exchange operator and the… read more here.
Keywords: pseudospectral method; numerical solution; fock; equation ... See more keywords