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Encaged atoms frozen-cage approximation

In the framework of the A-potential model, combined with the frozen-cage approximation, the problem is solved simply. Namely, HF wavefunctions and energies of the encaged atom, solutions of the extended to encaged atoms Hartree-Fock equations (2), must be substituted into corresponding formulae for the photoionization of an nl subshell of the free atom, Equations (18)-(26), thereby turning them into formulae for the encaged atom (to be marked with superscript " A") rrni(o>) —> a A(co), Pni(fi>) Yni o>) - and 8ni((o) - 8 A(co). This accounts... [Pg.25]

The RRPA calculated [29] valence ras photoionization cross sections for both the free and encaged atoms, at the frozen-cage approximation level, are displayed in Figures 22-24. To demonstrate the importance of electron... [Pg.55]

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. [Pg.29]


See other pages where Encaged atoms frozen-cage approximation is mentioned: [Pg.24]    [Pg.25]    [Pg.25]    [Pg.27]    [Pg.49]    [Pg.49]    [Pg.49]    [Pg.54]    [Pg.54]    [Pg.27]    [Pg.32]    [Pg.51]   
See also in sourсe #XX -- [ Pg.24 , Pg.26 ]




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Frozen approximation

Frozen atoms

Frozen-cage approximation

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