The K x-ray emission rates in molecules have been calculated by the use of the discrete variational X± (DV-X±) method with and without interatomic transitions. The comparison of the obtained results is used to estimate the relative importance of contributions from interatomic transitions. For the CO molecule, it is found that the C K x-ray emission rate increases by about 20% when the interatomic contributions are included. However, the interatomic transitions play a minor role for Cr and Mn K x-ray emission in tetrahedral and octahedral compounds.
ASJC Scopus subject areas
- Condensed Matter Physics