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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

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✦ 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


ESCA Peak intensities in the dipole and
✍ J. Morales; A. Palma; E. Poulain 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 292 KB

## 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

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✍ Delano P. Chong; Alan V. Bree 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 490 KB

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