University of Sussex
Browse

File(s) not publicly available

Ab initio model potentials for the alkaline-earth trimers Be-3, Mg-3, and Ca-3

journal contribution
posted on 2023-06-08, 00:59 authored by I G Kaplan, J N Murrell, S Roszak, J Leszczynsk
Many-body model potentials for Be3, Mg3, and Ca3 clusters have been constructed with parameters fitted to the corresponding ab initio many-body energy surfaces calculated at the MP4 (SDTQ) level. These ab initio model potentials are accurate over a wide range of atom-atom distances, and are suitable for molecular dynamics simulation, collision dynamics, and other physical applications.

History

Publication status

  • Published

Journal

Molecular Physics

ISSN

0026-8976

Publisher

Taylor and Francis

Issue

6

Volume

100

Page range

843-849

Pages

7.0

Department affiliated with

  • Chemistry Publications

Notes

A collaborative theory paper building on ideas developed at Sussex by JM. For the very weakly bound trimer of Be3, and its higher analogues in the group the whole configuration space can be usefully split into 2-body and 3-body terms

Full text available

  • No

Peer reviewed?

  • Yes

Legacy Posted Date

2012-02-06

Usage metrics

    University of Sussex (Publications)

    Categories

    No categories selected

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC