X-Ray Emission in Molecules

Takeshi Mukoyama, Kazuo Taniguchi, Hirohiko Adachi

Research output: Chapter

1 Citation (Scopus)


Abstract: The K-shell x-ray emission rates of molecules have been calculated with the DV-X α method. The x-ray transition probabilites are evaluated in the dipole approximation by the DV-integration method using molecular wave functions. The validity of the DV-integration method is tested. The calculated values in the relaxed-orbital approximation are compared with those of the frozen-orbital approximation and the transition-state method. The contributions from the interatomic transitions are estimated. The chemical effect on the Kβ/Kα ratios for 3d elements is calculated and compared with the experimental data. The excitation mode dependence on the Kβ/Kα ratios for 3d elements is discussed.

Original languageEnglish
Title of host publicationAdvances in Quantum Chemistry
PublisherAcademic Press Inc.
Number of pages32
Publication statusPublished - 1998

Publication series

NameAdvances in Quantum Chemistry
ISSN (Print)0065-3276

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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    Mukoyama, T., Taniguchi, K., & Adachi, H. (1998). X-Ray Emission in Molecules. In Advances in Quantum Chemistry (C ed., pp. 297-328). (Advances in Quantum Chemistry; Vol. 29, No. C). Academic Press Inc.. https://doi.org/10.1016/S0065-3276(08)60276-2