A note on the magnetic susceptibility of hydrogen and its isotopomers

A wavefunction used in an earlier calculation of the nuclear shielding of the hydrogen molecule has been tested by comparing the calculated magnetic susceptibility against that of Kolos and Wolniewicz. Good agreement is obtained. The procedure of Herman and Short for averaging over the nuclear motio...

Full description

Saved in:
Bibliographic Details
Published in:Chemical physics letters 1974, Vol.24 (1), p.139-143
Main Authors: Raynes, W.T., Riley, J.P., Davies, A.M., Cook, D.B.
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A wavefunction used in an earlier calculation of the nuclear shielding of the hydrogen molecule has been tested by comparing the calculated magnetic susceptibility against that of Kolos and Wolniewicz. Good agreement is obtained. The procedure of Herman and Short for averaging over the nuclear motion has also been tested by comparing the predicted susceptibilities of H 2, Hd and D 2 with those obtained from averages of the Rydberg-Klein-Rees potential curves by Jain and Sahni. Again, good agreement is found. For the first time calculated values have been obtained for the susceptibilities of the isoropomers of hydrogen which contain tritium. It is predicted that accurate susceptibility measurements should not only be able to distinguish between all the various isotopomers but should also detect the temperature dependence of the susceptibility of any one isotopomer.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(74)80236-8