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Angularly projected hartree‐fock calculation of the hyperfine interaction in Li 2 2 P
Author(s) -
Laskowski Bernard,
Lunell Sten
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560090824
Subject(s) - hyperfine structure , hartree–fock method , angular momentum , atomic physics , dipole , spin (aerodynamics) , projection (relational algebra) , physics , chemistry , quantum mechanics , algorithm , thermodynamics , computer science
Projected Hartree‐Fock calculations involving both spin and orbital angular momentum projection are reported for the lowest 2 P state of Li. The value 0.0679 a.u. is obtained for the spin‐dipolar hyperfine structure term, in very good agreement with the experimental result of 0.0690 a.u. The energy is ‐7.36516 a.u. compared to the Hartree‐Fock result of ‐7.36507 and the experimental energy of ‐7.41016 a.u.