Nonempirical calculation of the K-absorption spectra of Ne, Ar, HF, and HCl
β Scribed by L. N. Mazalov; A. V. Kondratenko; V. V. Murakhtanov; T. I. Guzhavina
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1976
- Tongue
- English
- Weight
- 218 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0022-4766
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Calculations of far-infrared spectra for the weakly bound complexes (HF),, (HCI), and (HBr), are reported. For (HF), and (HCl)z, potentials fitted to ab initio data are used. Spectra are also predicted using simple classical electrostatic potentials. The method involves diagonalising the Hamiltonian
## Abstract The K and L Xβray absorption spectra of Al are computed on the basis of an APW band structure calculation over an energy range of 40 eV. The results are compared with experiments. The overall shapes and especially the positions of the main maxima and minima of the experimental spectra a