Discrete-Variational-Xα Calculations of Buckminsterfullerene ( C60) and Fulleride X-Ray Emission Spectra

X‐ray emission spectra of buckminsterfullerene (C60) and alkali‐metal fullerides (M3C60, where M denotes alkali‐metal) are calculated with the discrete‐variational (DV)‐Xα method. The calculated x‐ray emission spectra of C60 agree well with experimental x‐ray spectra. This indicates that the x‐ray emission spectrum of M3C60 calculated with the same method provides a good prediction of fulleride spectra which have not been measured yet. The calculated x‐ray emission spectra are proposed to be used as standards of the electron probe microanalyzer (EPMA) spectra of fullerene and related compounds for searching the existence of such compounds in carbon mixtures.