Finite Nuclear Mass and Relativistic Effects on the Rotational Constant of Molecular Hydrogen

U.

Fink

,

T. A.

Wiggins

, and

D. H.

Rank

, , ().

G.

Herzberg

and

L. L.

Howe

, , ().

B. P.

Stoicheff

, , ().

(a)

W.

 

Kołos

and

L.

 

Wolniewicz

,  , ();

(b) ibid., p. 3674.

R. G.

Barnes

,

P. J.

Bray

, and

N. F.

Ramsey

, , ().

J. H.

Van Vleck

, , ().

J. L.

Dunham

, , ().

In obtaining their value for the “true” internuclear separation $(re*),$ Herzberg and Howe used the same numerical values for the Dunham and finite nuclear mass corrections as those employed by Stoicheff. Thus, in terms of Dunham’s $Be,$ the Herzberg and Howe result is $60.879 cm−1,$ to be compared with the presently calculated value $60.856 cm−1,$ and the theoretical value obtained with Van Vleck’s numerical values for $γb,$ $γc,$ and $γd,$ $60.838 cm−1.$ The comparison with the latter is equivalent to the comparison between the Kolos and Wolniewicz BO value of $Re$ and the “true” equilibrium separation of Herzberg and Howe, as made in Ref. 4(a). The present calculations obviously show improved agreement with Herzberg and Howe’s results, while showing decidedly better agreement with the experimental results of Fink, Wiggins, and Rank.

R. M. Herman and A. Asgharian, J. Mol. Spectry. (to be published).

The procedure for obtaining $g1(Re)$ for $H2$ from the data of Ref. (5) was consistent with that followed by

Chan

,

Ikenberry

, and

Das

[, ()] in obtaining the high‐frequency component of the diamagnetic susceptibility at $R = Re$ from the same data. The values of $g1(Re)$ for HD and $D2$ were then inferred through the usual isotope relations.