Electric Quadrupole Moment of the 14 N Nucleus Determined by ab initio Cl Calculation on NH
نویسنده
چکیده
Based on the calculated electric field gradient (q) from ab initio Cl wavefunctions with large basis set (including / functions on N and d functions on H) and the experimental nuclear quadrupole coupling constant (e Q q) for nitrogen in N H 3, an improved value o f the quadrupole moment o f l4N is proposed as Q ('4N ) = 2.08 x 10~ 26 cm2. The value calculated using a wavefunction near the Hartree-Fock limit enlarged ~ 10% by the Cl treatment.
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