paper

Photoionization of bonding and antibonding-type atom-fullerene hybrid states in Cd@C vs Zn@C60

arXiv:1405.3567 · doi:10.1088/0953-4075/47/17/175102

Abstract

Powerful hybridization of the Cd 4 state with the -angular momentum state of C symmetry is found in the local density approximation (LDA) structure of Cd@C ground state. The photoionization of the resulting symmetric and antisymmetric levels are computed using the time dependent LDA method to include electron correlations. Cross sections exhibit effects of the C plasmonic motion coherently coupled to the diffraction-type cavity oscillations induced by local emissions from C. The Cd@C results exhibit a substantial difference from our previous results for Zn@C.

6 pages, 4 figures, Submitted to J. Phys. B

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