Related papers: Jahn-Teller Spectral Fingerprint in Molecular Phot…
It is now well known that electron (hole)-vibron coupling and hence Jahn-Teller (JT) effect is important understanding the properties of $C_{60}$ and related molecules. In this paper, we study $H\otimes (2h\oplus g)$ coupling case to find…
A recent Letter reports photoemission data for the free C60 molecule, showing an interesting three-peak structure, presented as evidence of dynamic Jahn-Teller (DJT) effect in the C60+ ion. Those data constitute, along with earlier spectra…
The low-energy spectra of the single-mode h x (G+H) linear Jahn-Teller model is studied by means of exact diagonalization. Both eigenenergies and photoemission spectral intensities are computed. These spectra are useful to understand the…
Photoionization from atom-C60 hybrid levels in halogen endufullerene molecules, Cl@C60, Br@C60 and I@C60, are calculated using a linear response density functional method. Both the ordinary electron-configuration where the open shell…
The apolar fullerenes C60 and C70 are not accessible for radio astronomy. Upon ionization static Jahn-Teller effects occur in C70+ that distort the D5h neutral symmetry to Cs. This point group is polar thus ionization induces a permanent…
We consider luminescence in photo-excited neutral C_60 using the Su-Schrieffer-Heeger model applied to a single C_60 molecule. To calculate the luminescence we use a collective coordinate method where our collective coordinate resembles the…
We compute the vibronic spectrum of gas phase fullerene negative ions C_{60}^{-} and C_{60}^{2-}. We treat accurately the linear dynamical Jahn-Teller of these ions in their ground state. In particular, coupling of the t_{1u} orbital to the…
Considering C$_{60}$ as a model system for describing field emission from the extremity of a carbon nanotip, we explore electron emission from this fullerene excited by an intense, near-infrared, few-cycle laser pulse…
In this paper we present calculations of single-particle excitation spectra of neutral and three-electron-doped Hubbard C$_{60}$ molecules and monolayers from large-scale quantum Monte Carlo simulations and cluster perturbation theory. By a…
Recent experiments have shown that C60 can be positively field-doped. In that state, fullerene exhibits a higher resistivity and a higher superconducting temperature than the corresponding negatively doped state. A strong intramolecular…
Double photoelectron emission from He atoms by intense laser pulses with a wave length of $394.5\,nm$ is computed for intensities $3.5 - 9.2\times 10^{14}W/cm^2$. Joint momentum distributions confirm the characteristics seen in classical…
High-pressure infrared transmission measurements on \PhC60 were performed up to 9 GPa over a broad frequency range (200 - 20000 cm$^{-1}$) to monitor the vibrational and electronic/vibronic excitations under pressure. The four fundamental…
Recent direct experimental observation of multiple highly-dispersive C$_{60}$ valence bands has allowed for a detailed analysis of the unique photoemission traits of these features through photon energy- and polarization-dependent…
Na2C60 is believed to be an electron-hole counterpart of the Mott-Jahn--Teller insulator A4C60 salts. We present a study of infrared, ESR, NMR spectroscopy, X-ray diffraction, chemical composition and neutron scattering on this compound.…
The ground state energy shifts and excitation spectra of charged buckminsterfullerene C$_{60}^{n-}$, $n=1,\ldots 5$ are calculated. The electron--vibron Hamiltonian of Part I is extended to include all $A_g$ and $H_g$ modes with…
Starting from a multipole expansion of intra- molecular Coulomb interactions, we present configuration interaction calculations of the molecular energy terms of the hole configurations hu^m, m=2-5, of C60^{m+} cations, of the electron…
The Jahn-Teller effect of C$_{60}$ anions in the first electronically excited states was theoretically investigated. The orbital vibronic coupling parameters for the $t_{1g}$ next lowest unoccupied molecular orbitals were derived from the…
The vibronic coupling constants of C$_{60}^-$ are derived from the photoelectron spectrum measured by Wang {\it et al}. [X. B. Wang, H. K. Woo, and L. S. Wang, J. Chem. Phys., {\bf 123}, 051106 (2005).] at low temperature with…
The dipole strength of the nuclide $^{76}$Ge was studied in photon-scattering experiments using bremsstrahlung produced with electron beams of energies of 7.8 and 12.3 MeV at the $\gamma$ELBE facility. We identified 210 levels up to an…
High resolution spectra of the active binary Capella (G8 III + G1 III) covering the energy range 0.4-8.0 keV (1.5-30 Angstroms) show a large number of emission lines, demonstrating the performance of the HETGS. A preliminary application of…