부산대학교 도서관

Field gradients were calculated at 12 values of the internuclear distance from 34-, 66-, and 87-term molecular wave functions expanded in prolate- spheroldal coordinates and r/sub 12/. Convergence of the gradients as the basis enlarges is indicated, and the dissociation energy of H/sub 2/ is in agreement with experiment. Using vibrationally averaged gradients, experimental values for the quadrupoleinteraction constant, and estimating the error in the field gradients arising from truncation of the basis, the electric quadrupole moment of the deuteron is found to be 0.2875 plus or minus 0.002 x 10/sup -26/ cm/sup 2/ which is 2% larger than the most recent values. This disagreement as well as that among earlier work is explained. First-order perturbation-theoretic results for the magnetic spin--spin interaction constant for H/sub 2/(J = 1), HD(J = 1), D/sub 2/(J = 1), and D/sub 2/(J are in agreement with experiment and, except for H/sub 2/, well inside experimental error. (auth)