Photoionization dynamical-cage approximation

Thus, F(oj) has a complicated codependence. The latter will be mirrored in the photoionization cross section of the encaged atom. Correspondingly, the photoionization cross section of the encaged atom in the dynamical-cage approximation might differ greatly from that in the frozen-core approximation, both quantitatively and qualitatively. 

In summary, despite the assumption of a zero thickness A of the fullerene cage [38,39] being an obvious drawback of the quantum mechanical model, this model seems to be more realistic than the discussed classical models of the C cage [43,44], Correspondingly, in the present paper, the screening factor F(co) from [38,39] is used whenever the dynamical-cage approximation is deemed to be appropriate for the calculation of the photoionization of the atom encaged in Cm-... 

Figure 19 RPAE 5s photoionization cross section of encaged Xe, as marked, (a) a A [33], the A-potential model at the frozen-cage approximation level (b) "5 A [64], the A-potential model at the dynamical-cage approximation level (c) o rs [35], the 5-potential model at the frozen-cage approximation level (d) [38], the 5-potential model at the dynamical-cage approximation level (e)...

The quintessence of the reversed electron correlation effect is illustrated in Figure 20 by nonrelativistic HF and RPAE calculated data of the 4s photoionization cross section of free Ca and encaged Ca, Ca C60 near threshold, both at the frozen-cage approximation level, afs A, [20] and dynamical-cage approximation level, afsA [64]. 

At the dynamical-cage approximation level (see the lower main panel in Figure 20), the role of the dynamical screening of the incoming radiation by the C60 cage is tremendous [64], resulting in the impressively enhanced 4s photoionization cross section afsA compared to that calculated at the frozen-cage approximation level. 

Figure 17 The Cgo dynamical screening function F (to) [40] along with the RPAE calculated 5p photoionization cross section of free Xe, CT eefei, encaged Xe both at the frozen-cage approximation...

Ca C60, ofs A, are displayed in the lower panel of Figure 26. The dynamical screening effect is seen to increase very much quantitatively, although does not alter qualitatively, the photoionization probability of Ca at the autoionizing resonance energies compared to the predictions of the frozen-cage approximation. 

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