Phys. Rev. Lett. 91, 196402 (2003) [4 pages]Jahn-Teller Spectral Fingerprint in Molecular Photoemission: C60Received 28 July 2003; published 3 November 2003 The hu hole spectral intensity for C60→C60+ molecular photoemission is calculated at finite temperature by a parameter-free Lanczos diagonalization of the electron-vibration Hamiltonian, including the full 8 Hg, 6 Gg, and 2 Ag 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. © 2003 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.91.196402
DOI:
10.1103/PhysRevLett.91.196402
PACS:
71.20.Tx, 33.20.Wr, 33.60.–q, 36.40.Cg
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