The influence of the d-core states on the calculation of the crystal structure of Zn with the optimized model potential

✍ Scribed by A. Radwan; Prof. Dr. rer. nat. habil. P. Rennert

• Publisher: John Wiley and Sons
• Year: 1975
• Tongue: English
• Weight: 402 KB
• Volume: 10
• Category: Article
• ISSN: 0232-1300
• DOI: 10.1002/crat.19750100810

✦ Synopsis

Abstract

Shaw model potential has been used to calculate the structural energies of Zn using different model potential parameters. The effects of changing the model potentials, of using energy‐wavenumber characteristics calculated with intervals of q/2__k__~F~ = 0.05 and 0.025, and of using different interpolation methods on the structural energies are investigated.