Theory of X-ray absorption and emission spectra

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Theoretical studies on X-ray absorption and emission spectroscopy are discussed. Simple expressions for X-ray emission rate and X-ray absorption cross section are presented in the dipole approximation. Various atomic models to obtain realistic wave functions and theoretical calculations for X-ray absorption cross sections and X-ray emission rates are described. In the case of molecules and solids, molecular orbital methods for electronic structures and molecular wave functions are discussed. The emphasis is on the procedures to obtain the excited-state and continuum wave functions for molecules and to calculate the multi-center dipole matrix elements. The examples of the calculated X-ray absorption and emission spectra are shown and compared with the experimental results.

Original languageEnglish
Pages (from-to)1107-1115
Number of pages9
JournalSpectrochimica Acta - Part B Atomic Spectroscopy
Volume59
Issue number8
DOIs
Publication statusPublished - Aug 31 2004

Fingerprint

X ray absorption
Wave functions
emission spectra
absorption spectra
X rays
X ray absorption spectroscopy
Molecules
x rays
wave functions
Molecular orbitals
Excited states
absorption cross sections
Electronic structure
dipoles
molecules
molecular orbitals
absorption spectroscopy
electronic structure
continuums
matrices

Keywords

  • Dipole matrix element
  • Emission spectra
  • X-ray absorption

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy

Cite this

Theory of X-ray absorption and emission spectra. / Mukoyama, T.

In: Spectrochimica Acta - Part B Atomic Spectroscopy, Vol. 59, No. 8, 31.08.2004, p. 1107-1115.

Research output: Contribution to journalArticle

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