We ulculate the rotatlonnl madnew moments and the correspondmEg\_factors for water and ammoma Our results are g,, = 0.39i,g,,,, ; 0 769 andxiz = 0 345 for water and gXx = g experImental values a.r'eilx = 0 , = 0 69 and gzz = 0 51 for ammonla The 585,g for ammoma yy = 0 742 and gzz = 0 666 for w,% an
On the calculation of induced electric and magnetic moments of atoms and molecules
โ Scribed by Donald R. Beck; Cleanthes A. Nicolaides
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 352 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0009-2614
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We have calculated the rotational magnetic moment at equiiiirium nuclear distance for the hydrogen molecule by m&s of a variation-perturbation method. We obtain a vaIue of 0.89471 nuclear magnetons which should be mmp~ed with the experimental result of 0.88291 nuclw magnetons.
Self-consistent-field calculations on BrCl in a basis of 212 uncontracted Gaussian functions reproduce the measured dipole moment, nuclear quadrupole and spin-rotation coupling constants to within a few percent. The calculated mean polarisability of 36.8 au is 7% smaller than the average of the meas
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