On the density-functional description of the electron affinities of Ca and Sc

This method is only based on calculations performed on experimental data, no model is used and results do not depend on the accuracy of the different hypothesis, the probe

the strain response.of the Fermi surface (FS) of Therefore the shear response can be calculated from transition metals to homogeneous volume conserving a using zero-pressure for

The values obtained with the form of the self-interaction correction giving better results are compared with very recent values obtained using the Hartree-Fock method and

For sufficiently large values of ˜µ, the non-relativistic long- range RPA correlation energy per particle in the high-density limit follows a logarithmic behavior similar to the one

Figure 4: Ratio of absolute total ionization cross sections of the valence band of C60 by proton and electron impact as a function of the projectile impact velocity. The

Energy region of allowed bands of the infinite crystal is thus preserved in the semi-infinite crystal, only the wave functions are modified near the surface by the

Here we apply the theory to the calculation of atomic electron affinities (E. A.) at least for the lightereletnents where relativistic effects still d o not require

Les deux chapitres suivants présentent les résultats nouveaux obtenus en appliquant cette stratégie : le chapitre 3 présente des bornes à la Berry-Esseen dans le cadre du