A comparison is made between the valence charge density obtained using a local on Fermi sphere potential and that derived from a suitable average potential which takes into account the effects due to the nonlocality of the pseudopotential. The two electron distributions present significant differences, showing that the calculation of the valence charge density, which does not take account of the nonlocality of the pseudopotential, can lead to uncertain results.
Valence Charge Density in Aluminum / Bertoni, Carlo Maria; V., Bortolani; C., Calandra; F., Nizzoli. - In: JOURNAL OF PHYSICS F. METAL PHYSICS. - ISSN 0305-4608. - STAMPA. - 3:(1973), pp. L 244-L 248. [10.1088/0305-4608/3/11/007]
Valence Charge Density in Aluminum
BERTONI, Carlo Maria;
1973
Abstract
A comparison is made between the valence charge density obtained using a local on Fermi sphere potential and that derived from a suitable average potential which takes into account the effects due to the nonlocality of the pseudopotential. The two electron distributions present significant differences, showing that the calculation of the valence charge density, which does not take account of the nonlocality of the pseudopotential, can lead to uncertain results.
Pubblicazioni consigliate
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris
