107 citations · 148 across the 6 of their papers we have counts for
6 papers
Ab initio investigation of the groundstate, electronic, and optical properties of polyyne and cumulene prototypes
Carlo Motta, Marco Cazzaniga, Andrea Bordoni +1
We have investigated polyyne and cumulene prototypes based on the density-functional theory. Our independent-particle spectra show that the various carbynes can be distinguished by…
Effects of axial torsion on sp carbon atomic nanowires
Luca Ravagnan, Nicola Manini, Eugenio Cinquanta +7
Ab-initio calculations within Density Functional Theory combined with experimental Raman spectra on cluster-beam deposited pure carbon films provide a consistent picture of sp-carb…
Systematic calculation of molecular vibrational spectra through a complete Morse expansion
Andrea Bordoni, Nicola Manini
We propose an accurate and efficient method to compute vibrational spectra of molecules, based on exact diagonalization of an algebraically calculated matrix based on powers of Mor…
An optimized algebraic basis for molecular potentials
Andrea Bordoni, Nicola Manini
The computation of vibrational spectra of diatomic molecules through the exact diagonalization of algebraically determined matrixes based on powers of Morse coordinates is made sub…
Thermal Effects in Photoemission and Electron-Phonon Couplings of Fullerene
Andrea Bordoni, Nicola Manini
We show that thermal effects play a relevant role in the determination of the electron-phonon couplings based on the intensity of the phonon-shakeup peaks in photoemission spectra.…
Coulomb couplings in positively charged fullerene
Martin Lueders, Andrea Bordoni, Nicola Manini +3
We compute, based on density-functional electronic-structure calculations, the Coulomb couplings in the h_u highest occupied orbital of molecular C60. We obtain a multiplet-average…