https://doi.org/10.1007/s100530050172
Spherical averaged jellium model with norm-conserving pseudopotentials
INFM, Unità di Padova, Dipartimento di Fisica "Galileo
Galilei" ,
via Marzolo 8, I-35131, Università di Padova, Padova, Italy
Corresponding author: a mattei@pd.infn.it
Received:
3
March
1998
Accepted:
2
June
1998
Published online: 15 September 1998
The effect of non-local norm-conserving pseudo-potentials on the static and dynamic properties of Nan and Lin 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.
PACS: 36.40.-c – Atomic and molecular clusters / 71.15.Hx – Pseudopotential method / 31.15.Ew – Density-functional theory
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 1998
