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Volumn 107, Issue 24, 1997, Pages 10470-10479

Computing vibrational energy relaxation for high-frequency modes in condensed environments

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CRYSTAL IMPURITIES; ELECTRON ENERGY LEVELS; FOURIER TRANSFORMS; HARMONIC ANALYSIS; MATHEMATICAL MODELS; NUMERICAL ANALYSIS; QUANTUM THEORY; RELAXATION PROCESSES; SOLIDS;

EID: 0031383094     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475323     Document Type: Article
Times cited : (53)

References (40)
  • 17
    • 85033289077 scopus 로고    scopus 로고
    • note
    • The explicit statement made in Ref. 16 is as follows: "By general property of a Fourier transform, the behavior of J(ω) in the neighborhood of ω=0 is governed by the asymptotic behavior of C(t) for large t, and that for large ω by that of C(t)for small t. Accordingly, the shape of the spectrum at the center to a Lorentzian form which corresponds to the long-time approximation. However the wings are close to a Gaussian form, corresponding to the short-time approximation."
  • 30
    • 85033304089 scopus 로고    scopus 로고
    • note
    • These numerical results were obtained relatively early in our study, and are based on simulations with reaction field boundary conditions which, as seen in Fig. 2, give reliable results only at a relatively narrow frequency range.
  • 31
    • 85033301779 scopus 로고    scopus 로고
    • note
    • This property of the Stockmayer model understandably deviates from the behavior of many "real" liquids with similar partial atomic charges, where librational modes appear at higher frequencies.
  • 38
    • 85033281165 scopus 로고    scopus 로고
    • note
    • The dominant relaxation in pure Ar/CO samples is via the radiative channel - IR fluorescence by the vibrationally excited CO (Ref. 39), and the upper bound is estimated (Ref. 13) in correspondence with this observation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.