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
Calculation of the rotational magnetic moment of the hydrogen molecule
β Scribed by Hae-Won Kim; Hendrik F. Hameka
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 346 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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.
π SIMILAR VOLUMES
The variation-perturbation method, employing an explicitly correlated basis set in the form of Gaussian functions with exponential correlation factors, has been used to calculate the paramagnelic component of the nuclear magnetic shielding and the electronic contribution to the spin-rotation constan
A priori prediction of vibrational magnetic dipole transition moments and vibrational strengths requires the calculation of the overlap integral of the derivatives of the electronic wavefunction with respect to nuclear displacement and an external magnetic field. The efficient calculation of this in
We use a recently proposed method to calculate the electric ~olarizabilities of the hydrogen molecule and the hydrogen molecular ion We solve the first-order and second+xder perturbation equations by variational procedures and we use the solution of the second-order perturbation equation to improve