✦ LIBER ✦

Calculations of x-ray emission spectra for sulfur dioxide by the DV-Xα method

✍ Scribed by Bin Song; Hirohide Nakamatsu; Akio Shigemi; Takeshi Mukoyama; Kazuo Taniguchi

Publisher: John Wiley and Sons
Year: 1999
Tongue: English
Weight: 101 KB
Volume: 28
Category: Article
ISSN: 0049-8246
DOI: 10.1002/(sici)1097-4539(199903/04)28:2<94::aid-xrs315>3.0.co;2-a

No coin nor oath required. For personal study only.

✦ Synopsis

X-ray emission spectra of S Kb, S

and O Ka for sulfur dioxide were calculated by the discrete variational Xa L 2, 3 (DV-Xa) method. The absolute energies of the peaks in the theoretical spectra agree with the experimental values within an error of 3% . The relative energies and intensities of peaks in the theoretical spectra are in good agreement with the experimental values. The spectral features of the experimental spectra are assigned to the molecular orbitals.