Journal ArticleDOI
Calculated photoionization cross sections and relative experimental photoionization intensities for a selection of small molecules
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TLDR
In this article, a simplified analysis of the relative experimental photoionization band intensities derived from electrostatic deflection analyzers is presented, and the 2P3/2:2P1/2 intensity ratios of the rare gases are determined with the three modes of excitation mentioned above.Abstract:
The general equations for calculating photoionization cross sections of polyatomic molecules in the plane‐wave and orthogonalized plane‐wave approximations have been programmed for the electronic computer. Applications are described for the molecules H2, CH4, N2, CO, H2O, H2S, and H2CCH2 for incident photon energies from threshold to 1500 eV. Relative experimental photoionization band intensities for the above molecules are measured using NeI, HeI, and HeII resonance radiation. A simplified analysis of the intensities derived from electrostatic deflection analyzers is presented. The 2P3/2:2P1/2 intensity ratios of the rare gases are determined with the three modes of excitation mentioned above. An analysis of the resolution capabilities of an electrostatic deflection spectrometer as a function of electron kinetic energy is presented. Relative experimental photoionization band intensities for the above molecules obtained by ionization with the three uv sources and MgKa and A1Ka x‐ray sources are compared with computed differential cross sections. Variations in computed cross sections as a function of the kinetic energy of the photoelectrons are discussed and possible interpretations are proposed.read more
Citations
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Journal ArticleDOI
The interaction of water with the Pt(111) surface
Galen B. Fisher,John L. Gland +1 more
TL;DR: The interaction of water with a platinum surface has been examined by thermal desorption, ultraviolet photoemission, and X-ray photo-emission spectroscopies.
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Attosecond Electron Dynamics in Molecules.
TL;DR: This review will concentrate on the application of attosecond methods to the investigation of ultrafast processes in molecules, with emphasis in molecules of chemical and biological interest.
Book ChapterDOI
Molecular Electron Propagator Theory and Calculations
Yngve Öhrn,Gregory Born +1 more
TL;DR: In this paper, the electron propagator is employed in molecular theory for the calculation of electron binding energies as well as for photoionization cross sections and intensities related to various spectrometric processes.
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(e, 2e) spectroscopy
Ian E. McCarthy,Erich Weigold +1 more
TL;DR: In this article, a detailed treatment of the theoretical and experimental aspects of the symmetric (e, 2e) reaction in atoms, molecules and solids is presented, and two experimental arrangements are described for measuring angular correlations and separation energy spectra.
References
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Journal ArticleDOI
Methods in Computational Physics
Journal ArticleDOI
Atomic Screening Constants from SCF Functions
E. Clementi,D. L. Raimondi +1 more
TL;DR: In this article, the selfconsistent field function for atoms with 2 to 36 electrons is computed with a minimal basis set of Slater-type orbitals, and the orbital exponent of the atomic orbitals are optimized as to ensure the energy minimum.
Journal ArticleDOI
Small Gaussian Expansions of Slater‐Type Orbitals
TL;DR: In this article, small Gaussian expansions of Slater-type orbitals by the method of least squares are presented and the least square equations are solved by a full-matrix method.