ESCA peak intensities for small molecules in the sudden approximation
✍ Scribed by A. Palma; E. González; O. Goscinski
- Book ID
- 104579893
- Publisher
- John Wiley and Sons
- Year
- 1980
- Tongue
- English
- Weight
- 214 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
A simple transition probability formula is applied to the core hole ionization in CO, satisfactorily predicting the ratio between the intensity of the two inner‐shell peaks. The formula is also applied to the full ESCA spectra of water and methane; the theoretical results agree reasonably well with the experiment.
📜 SIMILAR VOLUMES
## Abstract Analytical expressions for the square of the spherical average of Fourier transforms of Gaussian type orbitals (GTO's) are given. A direct application of these expressions to the calculation of molecular photoionization cross sections is considered under the generalized sudden (GSA) and
Density functional theory was used to compute electric dipole moment derivatives along bending coordinates for the linear molecules HCN, DCN, FCN, CICN, COx, OCS, C&, N20, C2H2, CzDl and C2N2. The infrared intensities obtained in this way are in better agreement with experimental values than provide