A very simple and efficient numerical method for evaluating the Madelung constants for cubic crystals, using cubes of increasing size, is proposed. The results of successful applications to the NaCl and CsCl ionic crystals, representative perovskite cubic lattices, and to a simple cubic metal are reported.
Efficient calculation of Madelung constants for cubic crystals
SILVESTRELLI, PIER LUIGI
2009
Abstract
A very simple and efficient numerical method for evaluating the Madelung constants for cubic crystals, using cubes of increasing size, is proposed. The results of successful applications to the NaCl and CsCl ionic crystals, representative perovskite cubic lattices, and to a simple cubic metal are reported.
File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
