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Volumn 89, Issue 11, 1988, Pages 6823-6835

Structure of sulfur clusters using simulated annealing: S2 to S13

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0041604593     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.455356     Document Type: Article
Times cited : (212)

References (89)
  • 14
    • 85034877268 scopus 로고    scopus 로고
    • Applications are described in
  • 16
    • 84950574861 scopus 로고    scopus 로고
    • For a review, see R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. (to be published).
  • 19
    • 85034872784 scopus 로고    scopus 로고
    • For a discussion of [formula omitted][formula omitted] SOS, and [formula omitted] see
  • 56
    • 84950574876 scopus 로고    scopus 로고
    • In Ref. 15, a [formula omitted] structure with [formula omitted] [formula omitted] and [formula omitted] was found to be the ground state. A very careful finite temperature search in the vicinity of that geometry has shown that the energy minimum had not yet been reached. The geometry of the refined minimum is a rectangle with [formula omitted] and [formula omitted] only 0.22 eV below the former [formula omitted] structure. Very small energy gradients present problems for all methods based on force evaluations.
  • 71
    • 84950574879 scopus 로고    scopus 로고
    • This is observed as weak absorption in the Raman spectrum of solid [formula omitted] and attributed to a [formula omitted] mode which is Raman and IR inactive under [formula omitted]
  • 80
    • 85034875476 scopus 로고    scopus 로고
    • For a discussion of the origin and magnitude of the errors in DF calculations with the LSD approximation, see


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.