3 papers
cond-mat.mtrl-sci2005
Raman Tensor Calculation for Magnesium Phthalocyanine
Jaroslav Tobik, Erio Tosatti
We present ab-initio density functional (DFT) calculations of the vibrational spectra of neutral Magnesium phthalocyanine (MgPc) molecule and of its Raman scattering intensities.
cond-mat.str-el2004
Strong Correlations in Electron Doped Phthalocyanine Conductors Near Half Filling
Erio Tosatti, Michele Fabrizio, Jaroslav Tobik +1
We propose that electron doped nontransition metal-phthalocyanines (MPc) like ZnPc and MgPc, similar to those very recently reported, should constitute novel strongly correlated me…
cond-mat.mtrl-sci2004
Electric fields with ultrasoft pseudo-potentials: applications to benzene and anthracene
Jaroslav Tobik, Andrea Dal Corso
We present density functional perturbation theory for electric field perturbations and ultra-soft pseudopotentials. Applications to benzene and anthracene molecules and surfaces ar…