Ab-Initio Calculations of Many body effects in electronic spectre.

configurations, we have computed ab initio, by means of the MCHF method, the electronic hfs parameters relevant.. to the two-body far-configuration-mixing effects on

Comparison of the experimental vibrational progressions found for THF for the neutral electronic ground states, the neutral electronic excited states with both present

- The shape of metal soft X-ray emission and absorption spectra are affected by electron-electron correlations in the conduction band and by the polarization of the

Higher order data correspond to a mixture of terms involving higher order correlation functions, higher order potentials, and may involve quantum corrections before they are

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In a first step, classical molecular dynamics simulations with simple model potentials were used to create reference configurations from small approximants (80–250 atoms).. These

energies of the vanadium d-levels and the correspond- ing charge distributions.. - Atomic clusters used in the calculations : large spheres represent oxygen atoms and

While these results do not lead to negative densities of states, they are certainly unphysical, and are furthur evidence that the EMA may not provide an entirely