I present a total-energy method based on the exact muffin-tin orbitals (EMTO) theory and the full charge density (FCD) technique. The FCD-EMTO method combines the accuracy of the full-potential method and the efficiency of the muffin-tin potential method. The one-electron Kohn-Sham equations...
These features should be connected with the excitation of specific energy levels of the target molecule. Figure 2 shows the time-of-flight spectra once calibrated in kinetic energy of the incident anion beam with and without benzene in the scattering region. As derived from this figure, the ...