Comparison of theoretical and empirical interatomic potentials

✍ Scribed by D.J. O'connor; J.P. Biersack

• Book ID: 113277643
• Publisher: Elsevier Science
• Year: 1986
• Tongue: English
• Weight: 467 KB
• Volume: 15
• Category: Article
• ISSN: 0168-583X
• DOI: 10.1016/0168-583x(86)90243-0

✦ Synopsis

Despite a wealth of theoretical and experimental research on interatomic potentials, there has been only limited guidance on how well each compares to all others. In this report, many popular theoretical potentials are compared to a large range of experimental potentials to gauge the accuracy of the various theoretical models. From this comparison it is found that the "Universal Potential" of Biersack and Ziegler agrees best with the available measurements. Correction factors are derived which give similar agreement for the other potentials, but some systematic deviations still persist at the low or high energy end for most other potentials, as demonstrated for the Molike potential.