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[en] The multiconfigurational coupled Hartree-Fock expressions for the Fermi contact contribution to the indirect nuclear spin-spin coupling constants is derived. Numerical calculations on H2 and FH indicate that the nuclear spin-spin coupling is very difficult to describe in finite basis set calculations. (orig.)
Journal
Chemical Physics Letters; ISSN 0009-2614; 
; v. 76(2); p. 354-358
; v. 76(2); p. 354-358