Please use this identifier to cite or link to this item:
https://doi.org/10.1023/B:JOMC.0000044223.40611.00
DC Field | Value | |
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dc.title | Connection among classical interatomic potential functions | |
dc.contributor.author | Lim, T.-C. | |
dc.date.accessioned | 2014-11-28T06:33:07Z | |
dc.date.available | 2014-11-28T06:33:07Z | |
dc.date.issued | 2004-07 | |
dc.identifier.citation | Lim, T.-C. (2004-07). Connection among classical interatomic potential functions. Journal of Mathematical Chemistry 36 (3) : 261-269. ScholarBank@NUS Repository. https://doi.org/10.1023/B:JOMC.0000044223.40611.00 | |
dc.identifier.issn | 02599791 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/112586 | |
dc.description.abstract | The four classical interatomic pair potentials of Lennard-Jones [Proc. Roy. Soc. Lond. A 106 (1924) 463], Morse [Phys. Rev. 34 (1929) 57], Rydberg [Z. Phys. 73, (1931) 376] and Buckingham [Proc. Roy. Soc. Lond. A 168 (1938) 264] have been widely adopted in molecular force fields of computational chemistry softwares and also incorporated into 2-body potential energy description in many-body solid-state physics. This paper demonstrates how mathematical methods such as infinite series expansions can be used to connect parameters across these interatomic potential functions. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1023/B:JOMC.0000044223.40611.00 | |
dc.source | Scopus | |
dc.subject | Buckingham | |
dc.subject | interatomic potentials | |
dc.subject | Lennard-Jones | |
dc.subject | Morse | |
dc.subject | parametric relationships | |
dc.subject | Rydberg | |
dc.type | Article | |
dc.contributor.department | NUS NANOSCIENCE & NANOTECH INITIATIVE | |
dc.description.doi | 10.1023/B:JOMC.0000044223.40611.00 | |
dc.description.sourcetitle | Journal of Mathematical Chemistry | |
dc.description.volume | 36 | |
dc.description.issue | 3 | |
dc.description.page | 261-269 | |
dc.identifier.isiut | 000224389900005 | |
Appears in Collections: | Staff Publications |
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