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
Variation of the polarizability of the hydrogen molecule ion and the hydrogen molecule with internuclear separation
β Scribed by Daniel Zeroka
- Publisher
- John Wiley and Sons
- Year
- 1974
- Tongue
- English
- Weight
- 212 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0020-7608
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β¦ Synopsis
Abstract
The variation of the polarizability of H and H~2~ with internuclear separation R = 1.6 β R = 2.4 a.u. for H and R = 1.0 β R = 2.0 a.u. for H~2~ is determined using a variational method suggested by Das and Bersohn. From these data, values of γΞ±γ~0,J~ for which nuclear motion due to zero point vibration and centrifugal stretching is taken into account, are calculated at 300Β°K. The relative percent increases of the motion averaged values compared to the equilibrium values are as follows: 10.50% for H and 6.52% for H~2~.
π SIMILAR VOLUMES
A varMlon-perturbation method has been used to calculate the dynamic polarizabllities al(w) and Q,,(W) of the hydrogen molecule. Values have been obtained for frequencies below the first exatation for a fned bond len@h of I.4 au.