General anisotropic hyperfine splitting tensors for double zeta functions with application to neutral radical proton interactions

General electron-proton anisotropic hyperfine splitting (hfs) trensor elements are determined for all n=2 wavefunctions using ’’double-zeta’’ radial functions. These elements are employed in calculating the resultant hfs tensors in neutral radial models for α-proton and β-proton interactions that include interatomic spin density considerations. The resulting tensors are found to be in good agreement with the corresponding experimental ENDOR results from carbond and nitrogen radicals and indicate the utility of such comparisons in model definition. Two classical point dipole models, used to represent these interactions, are also discussed in relations to tensor calculations.