Independently Optimized Orbital Sets in GRASP—The Case of Hyperfine Structure in Li I

Yanting Li,Per Jonsson,Michel Godefroid,Gediminas Gaigalas,Jacek Bieron,Jose Pires Marques,Paul Indelicato,Chongyang Chen

ATOMS（2023）

Cited 4|Views42

Key words

variational methods,multiconfiguration Dirac-Hartree-Fock,atomic properties,targeted orbitals,non-orthogonal orbital sets,orthogonalization,convergence

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