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- W2063669600 abstract "The magnetic hyperfine constant for the $^{4}S_{frac{3}{2}}$ state of the ${mathrm{N}}^{14}$ atom has been calculated from a configuration interaction (CI) function built from the usual Hartree-Fock (HF) representation (where the orbitals are linear combinations of analytic functions) plus all singly-excited and some doubly-excited $sensuremath{rightarrow}s$ configurations. We have found that the polarization of the $s$ orbitals can be reasonably well represented by a basis set consisting of two series of Laguerre polynomials each of which is multiplied by an exponential function. If the energy is minimized with respect to the exponents of all $s$ functions, then the calculated hyperfine constant appears to be in good agreement with experiment. For six $s$ functions, the magnetic constant is found to be 13 Mc/sec (experimental 10.45 Mc/sec). Using seven $s$ basis functions, the constant is 11 Mc/sec. We show in this paper that a configuration interaction function built from the usual HF representation plus all singly-excited $sensuremath{rightarrow}s$ configurations is equivalent, to first order, to what Lowdin has called the extended Hartree-Fock representation. In addition, we show that the magnetic constant calculated from the spin-polarized (or unrestricted Hartree-Fock) function should be relatively close to that calculated from the CI function of HF plus singly excited configurations." @default.
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- W2063669600 date "1961-11-15" @default.
- W2063669600 modified "2023-10-18" @default.
- W2063669600 title "Calculation of the Magnetic Hyperfine Constant of the Nitrogen Atom" @default.
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- W2063669600 doi "https://doi.org/10.1103/physrev.124.1124" @default.
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