The Comptoli profile of Hz is calculated, with and without a vibrational effect included, using a Wang wavefunction :. : It is found that the a.timmonicity of the HZ potenta energy curve causes a 1% increase in J(q) at low electron ,:
Vibrational correction to the electron scattering intensity of the H2 molecule
โ Scribed by J.W. Liu; R.A. Bonham
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 383 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The nonadiabatic corrections to the vibrational levels of Hz and D2 are evaluated for the X'Z+ state by taking into account the coupling with the E. F t S+clectronic state. The computed corrections diminish ancy between the esperimental and theore%cal vibrational quanta by about 20%.
Vibrational corrections to the charge and momentum densities of Hz are calculated using the Wang wavefunction and various expressions for the dependence of the effective nucIear charge on the interatomic distance\_ Both harmonic oscillator and Morse potentials are empIoyed for the vibrationai wavefu
The theory of low-energy eIectron--molecule scattering by T-mat&x expzmston in A2 basis orbitak is gerxeraEzed to in-&de coupling with molectdaz vibration. A mixed basis set of scatteredelectron orbit& and vibrational functians is used. The resuSting integrals are shown to be ordy mar@naEy more diff