Calculations of X-ray Emission Spectra of Molecules and Surface Adsorbates by Means of Density Functional Theory-Reference-Cited by-同舟云学术

Calculations of X-ray Emission Spectra of Molecules and Surface Adsorbates by Means of Density Functional Theory

Published:1998-12-01 Issue:52 Volume:102 Page:10599-10607
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Triguero L.¹,Pettersson L. G. M.¹,Ågren H.¹

Affiliation:

1. FYSIKUM, University of Stockholm, Box 6730, S-113 85 Stockholm, Sweden, and Institute of Physics and Measurement Technology, Linköping University, S-58183 Linköping, Sweden

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp980824r

Reference43 articles.

1. Local probing of the surface chemical bond using X-ray emission spectroscopy

2. An Atom-Specific Look at the Surface Chemical Bond

3. Density functional calculations of excitation energies and oscillator strengths for and excitations and ionization potentials in carbonyl containing molecules

4. Density functional computations for inner-shell excitation spectroscopy

5. Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. Twelve test cases and application to three C2H4O2 isomers

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