Spherical averaged jellium model with norm-conserving pseudopotentials. Mattei, G. & Toigo, F. THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS, 3:245–256, Les Ulis: EDP Sciences. Springer Verlag Germany, 1998. doi abstract bibtex 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.
@article{
11577_144141,
author = {Mattei, Giovanni and Toigo, Flavio},
title = {Spherical averaged jellium model with norm-conserving pseudopotentials},
year = {1998},
publisher = {Les Ulis: EDP Sciences. Springer Verlag Germany},
journal = {THE EUROPEAN PHYSICAL JOURNAL. D, ATOMIC, MOLECULAR AND OPTICAL PHYSICS},
volume = {3},
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.},
doi = {10.1007/s100530050172},
pages = {245--256}
}
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