Photoionization of the free and confined Mg (Mg@C-60) have been calculated in the vicinity of the inner-shell 2p thresholds using R-matrix at the Breit-Pauli R-matrix level with a particular emphasis on the various resonance series leading up to the two lowest inner-shell thresholds and the changes resulting from the confinement. For free Mg, the calculated resonance positions agree well with NIST values, and a number of new resonances are identified. For confined Mg, the calculation was done for various depths of the confining potential well in order to follow the trajectories of the resonances as a function of well depth. The results for the well depth corresponding to Mg@C-60 showed that most of the resonances moved to higher photon energy, as a result of the confinement, but a few moved to lower energies. This phenomenology was found to result from the fact that the 3p, 3d and 4s excitations are trapped by the confining potential well, while the higher excitations were not.
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Univ Paris 06, LCPMR, UPMC, F-75231 Paris 05, France
CNRS, LCPMR, UMR 7614, F-75231 Paris 05, FranceUniv Oulu, Dept Phys, Oulu 90014, Finland
Lablanquie, P.
Andric, L.
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Univ Paris 06, LCPMR, UPMC, F-75231 Paris 05, France
CNRS, LCPMR, UMR 7614, F-75231 Paris 05, France
Univ Paris Est, F-77454 Marne La Vallee 2, FranceUniv Oulu, Dept Phys, Oulu 90014, Finland
Andric, L.
Palaudoux, J.
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Univ Paris 06, LCPMR, UPMC, F-75231 Paris 05, France
CNRS, LCPMR, UMR 7614, F-75231 Paris 05, FranceUniv Oulu, Dept Phys, Oulu 90014, Finland
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Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA
Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA
Natl Secur Technol LLC NSTec, Livermore, CA 94550 USAUniv Nevada, Dept Chem, Las Vegas, NV 89154 USA
Stolte, W. C.
Jonauskas, V.
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Vilnius Univ, Inst Theoret Phys & Astron, Gostauto St 12, LT-01108 Vilnius, LithuaniaUniv Nevada, Dept Chem, Las Vegas, NV 89154 USA
Jonauskas, V.
Lindle, D. W.
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Univ Nevada, Dept Chem, Las Vegas, NV 89154 USAUniv Nevada, Dept Chem, Las Vegas, NV 89154 USA
Lindle, D. W.
Sant'Anna, M. M.
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Univ Fed Rio de Janeiro, Inst Fis, BR-21941972 Rio De Janeiro, BrazilUniv Nevada, Dept Chem, Las Vegas, NV 89154 USA
Sant'Anna, M. M.
Savin, D. W.
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Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USAUniv Nevada, Dept Chem, Las Vegas, NV 89154 USA