Mapping the potential energy landscapes of selenium clusters

John Mauro, Roger J. Loucks, Jitendra Balakrishnan, Arun K. Varshneya

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

We describe the potential energy landscapes of Se3-Se8 clusters using disconnectivity graphs. Inherent structures include both chain and ring configurations, with rings dominating in the larger clusters. Transition points are located using an eigenvector-following technique, which is of general applicability in mapping multi-dimensional energy landscapes.

Original languageEnglish (US)
Pages (from-to)1268-1273
Number of pages6
JournalJournal of Non-Crystalline Solids
Volume353
Issue number13-15 SPEC. ISS.
DOIs
StatePublished - May 15 2007

Fingerprint

Selenium
Potential energy
selenium
Eigenvalues and eigenfunctions
potential energy
rings
transition points
eigenvectors
configurations
energy

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Materials Chemistry

Cite this

Mauro, J., Loucks, R. J., Balakrishnan, J., & Varshneya, A. K. (2007). Mapping the potential energy landscapes of selenium clusters. Journal of Non-Crystalline Solids, 353(13-15 SPEC. ISS.), 1268-1273. https://doi.org/10.1016/j.jnoncrysol.2006.09.062
Mauro, John ; Loucks, Roger J. ; Balakrishnan, Jitendra ; Varshneya, Arun K. / Mapping the potential energy landscapes of selenium clusters. In: Journal of Non-Crystalline Solids. 2007 ; Vol. 353, No. 13-15 SPEC. ISS. pp. 1268-1273.
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Mauro, J, Loucks, RJ, Balakrishnan, J & Varshneya, AK 2007, 'Mapping the potential energy landscapes of selenium clusters', Journal of Non-Crystalline Solids, vol. 353, no. 13-15 SPEC. ISS., pp. 1268-1273. https://doi.org/10.1016/j.jnoncrysol.2006.09.062

Mapping the potential energy landscapes of selenium clusters. / Mauro, John; Loucks, Roger J.; Balakrishnan, Jitendra; Varshneya, Arun K.

In: Journal of Non-Crystalline Solids, Vol. 353, No. 13-15 SPEC. ISS., 15.05.2007, p. 1268-1273.

Research output: Contribution to journalArticle

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