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Morse_QuinticSmoothed__MD_093895395358_002

Title
A single sentence description.
Morse pair potential with C^2 continuous 5th order polynomial tail v002
Description This Model Driver implements a C^2 continuous Morse pair potential with its tail given by a fifth-order polynomial. It takes five parameters: (1) the cutoff separation in angstroms, (2) the transition percentage defining the size of the tail, (3) the epsilon parameter in eV, (4) the C parameter in inverse angstroms, and (5) the equilibrium pair separation 'Rzero' in angstroms. The potential is C^2 continuous and has zero for its value and first and second derivatives at the cutoff separation.
Disclaimer
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None
Contributor Ryan S. Elliott
Maintainer Ryan S. Elliott
Published on KIM 2018
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
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MD_093895395358_002
Extended KIM ID
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Morse_QuinticSmoothed__MD_093895395358_002
DOI 10.25950/759b56b8
https://doi.org/10.25950/759b56b8
https://search.datacite.org/works/10.25950/759b56b8
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
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100.00% C
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