Density functional theory calculations of the non-resonant and resonant x-ray emission spectroscopy of carbon fullerenes and nanotubes

HIGHLIGHTS

• who: Nicholas Besley from the a School of Chemistry, University of Nottingham, University Park, Nottingham, RD, Ningbo China, Taiking East Rd, Ningbo, Zhejiang, China have published the Article: Density Functional Theory Calculations of the Non-Resonant and Resonant X-ray Emission Spectroscopy of Carbon Fullerenes and Nanotubes, in the Journal: (JOURNAL)
• what: In this approach the transition energy is evaluated from the orbital energies of the valence orbital (✏v ) and core orbital (✏c ) E=✏v 30 ✏c.
• how: It was demonstrated that this approach could be extended to simulate RIXS in a two . . .
  

   

  

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