The effect of non-local norm-conserving pseudo-potentials oil the static and dynamic properties of Na-n and Li-n cluster with n = 6,8 is investigated in the frame of self-consistent LDA calculations with spherically averaged ionic density (SAPS model). A comparison with previous calculations which use local pseudo-potentials as well with uniform averaged non-local pseudo-jellium calculation has been carried out. A better quantitative agreement with experiments has been found in the calculation of the photoresponse cross-section with respect to either simple jellium or pseudo-jellium model, even in very small clusters, where deviations from sphericity are not negligible.

Spherical averaged jellium model with norm-conserving pseudopotentials

MATTEI, GIOVANNI;TOIGO, FLAVIO
1998

Abstract

The effect of non-local norm-conserving pseudo-potentials oil the static and dynamic properties of Na-n and Li-n cluster with n = 6,8 is investigated in the frame of self-consistent LDA calculations with spherically averaged ionic density (SAPS model). A comparison with previous calculations which use local pseudo-potentials as well with uniform averaged non-local pseudo-jellium calculation has been carried out. A better quantitative agreement with experiments has been found in the calculation of the photoresponse cross-section with respect to either simple jellium or pseudo-jellium model, even in very small clusters, where deviations from sphericity are not negligible.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11577/144141
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