We have recorded the electronic spectra of benzo[g,h,i]perylene and coronene and their van der Waals complexes with argon and oxygen with a helium-nanodroplet depletion spectrometer. These molecules differ by the addition of one and two fused benzene rings to perylene, which was previously studied in helium. The coronene spectrum is similar to a previously reported jet-cooled laser-induced fluo...

We present the first measurement of a one-photon extreme-ultraviolet photoelectron spectrum (PES) molecules embedded in superfluid helium nanodroplets. The PES coronene is compared to gas phase and solid PES, electron spectra generated by charge transfer Penning ionization through ionized or excited helium. resemblence He-droplet one indicates that mostly Cor clusters are photoionized. In contr...

A highly efficient new algorithm for time-dependent density-functional theory (TDDFT) calculations is presented. In this algorithm, a dual-level approach to speed up DFT calculations (Nakajima and Hirao, J Chem Phys 2006, 124, 184108) is combined with a state-specific (SS) algorithm for TDDFT (Chiba et al., Chem Phys Lett 2006, 420, 391). The dual-level SS-TDDFT algorithm was applied to excitat...

Information of spatial and energy distribution the electronic state described from localized molecular orbitals is important to understand optical properties materials. In this study, photoemission spectra a highly-oriented-coronene monolayer on Au(111) were measured by photoelectron momentum microscope (PMM) installed at soft X-ray beamline BL6U UVSOR-III synchrotron. Whole valence band mappin...