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29 April 2024
 
  » pubmed » pmid14611594

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Jahn-Teller spectral fingerprint in molecular photoemission: c60
Nicola Manini ; Paolo Gattari ; Erio Tosatti ;
Date 7 Nov 2003
Journal Phys Rev Lett, 91 (19), 196402
AbstractThe h(u) hole spectral intensity for C60-->C+60 molecular photoemission is calculated at finite temperature by a parameter-free Lanczos diagonalization of the electron-vibration Hamiltonian, including the full 8 H(g), 6 G(g), and 2 A(g) mode couplings. The computed spectrum at 800 K is in striking agreement with gas-phase data. The energy separation of the first main shoulder from the main photoemission peak, 230 meV in C60, is shown to measure directly and rather generally the strength of the final-state Jahn-Teller coupling.
Source PubMed, pmid14611594
Other source [GID 547096] cond-mat/0307696
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