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ThreeBodyCluster_KP__MD_527786671773_000

Title
A single sentence description.
Three-body cluster potential by Kaxiras and Pandey (1988) v000
Description A three-body cluster potential which is especially suited to simulate processes in the diamond lattice rather than in high-energy bulk structures of Si. The potential is based on a very large quantum-mechanical data base. It consists of two- and three-body terms with short-range separable forms, and reproduces accurately the energy surface for atomic exchange in Si. Thus, it is ideally suited for molecular dynamics simulations of atomic processes in Si.
Disclaimer
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Contributor jvievering
Maintainer jvievering
Author Josh Vievering
Publication Year 2019
Item Citation

This Model Driver originally published in [1] is archived in OpenKIM [2-4].

[1] Kaxiras E, Pandey KC. New classical potential for accurate simulation of atomic processes in Si. Phys Rev B. 1988;38(17):12736–9. doi:10.1103/PhysRevB.38.12736

[2] Vievering J. Three-body cluster potential by Kaxiras and Pandey (1988) v000. OpenKIM; 2019. doi:10.25950/477dbd2b

[3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Short KIM ID
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MD_527786671773_000
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
ThreeBodyCluster_KP__MD_527786671773_000
DOI 10.25950/477dbd2b
https://doi.org/10.25950/477dbd2b
https://search.datacite.org/works/10.25950/477dbd2b
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% C



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2019-05-08T16:26:00.513389 tadmor
2019-05-08T13:47:03.262905 jvievering
2019-05-08T13:39:07.361936 jvievering