Accurate crystal fields for embedded cluster calculations

• 1 September 2000
• journal article
• Published by Elsevier in Computer Physics Communications
• Vol. 131  (1-2) , 120-128
• https://doi.org/10.1016/s0010-4655(00)00071-0

Abstract

Keywords

• 71.15.TH
• 02.70.-C
• 31.15.-P
• EMBEDDED CLUSTER CALCULATION
• CRYSTAL FIELD POTENTIAL
• EWALD POTENTIAL