THEORETICALLY-CALCULATED VIBRATIONAL-ROTATIONAL SPECTRUM OF $H_{2}$, HD, AND $D_{2}$
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Date
1961
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Publisher
Ohio State University
Abstract
The term values and vibrational-rotational wave functions of $H_{2}$, HD, and $D_{2}$ were calculated by a numerical $procedure^{1}$ for solving the radial Schroedinger equation using the internuclear potential computed by Kolos and $Roothaan^{2}$. The Van Vleck $corrections^{3}$ were applied to the vibrational quanta, rotational constants, Raman displacements, and dissociation energies, derived from the computed term values. The results are compared with the spectroscopic data reported by $Stoicheff^{4}$, $Herzberg^{5,6,7}$ and others.
Description
$^{1}$J. W. Cooley, AEC Research and Development Report NYO--9490, Institute of Mathematical Sciences, New York University, New York. $^{2}$W. Kolos and C. C. J. Roothaan, Revs. Modern Phys. 32, 205 (1960). $^{3}$J. H. Van Vleck J. Chem, Phys. 4, 327 (1986). $^{4}$B. P. Stoicheff, Can. J. Phys. 35, 730 (1957). $^{5}$G. Herzberg and L.L. Howe, Can. J. Phys. 37, 636 (1959). $^{6}$R. A. Durie and G. Herzberg, Can. J. Phys. 38, 806 (1960) $^{7}$G. Herzberg and A. Monfils. J. Mol. Spectroscopy 5, 482 (1960).
Author Institution: Institute of Mathematical Sciences, New York University
Author Institution: Institute of Mathematical Sciences, New York University