Random phase approximation with exchange for the photoionization of confined atoms: Xe in C_{60} fullerene

Zhifan Chen; Alfred Z. Msezane

doi:10.1103/PhysRevA.77.042703

paper

Random phase approximation with exchange for the photoionization of confined atoms: Xe in C_{60} fullerene

arXiv:0811.2185 · doi:10.1103/PhysRevA.77.042703

Abstract

Photoionization of a Xe atom confined inside C $_{60}$ has been studied using the random phase approximation with exchange (RPAE) method. The C $_{60}$ fullerene has been descr ibed by an attractive short range spherical well with potential $V (r)$ , given by $V (r) = - V_{0}$ for $r_{i} < r < r_{0}$ , otherwise $V (r) = 0$ where $r_{i}$ and $r_{0}$ are respectively, the inner and outer radii of the spherical shell. The radial parts of the wave funct ion in the three regions $r < r_{i}$ , $r_{i} < r < r_{0}$ and $r > r_{0}$ have been obtained by solving the Schrödinger equation using both regular and irregular solutions and the continuous boundary conditions at $r_{i}$ and $r_{0}$ . The photoionization cross sections for the Xe 4d, $5 s$ and $5 p$ ele ctrons in the Xe@C $_{60}$ endohedral molecule have been evaluated and compared with those of the photoionization for the free Xe atom and other previo us calculations for the Xe@C $_{60}$ fullerene. Our method surmounted the weaknesses of the previous model potential calculation s and demonstrated significantly stronger correlated confinement resonances for the Xe@C $_{60}$ photoionization.

10 pages, 6 figures