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Volumn 120, Issue 22, 2004, Pages 10699-10710

Bridging continuum and statistical thermodynamics via equations of state and the density of states

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN EQUATIONS; HISTOGRAM REWEIGHTING (HR); LENNARD-JONES SYSTEMS; MOLECULAR SIMULATION;

EID: 2942662070     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1738108     Document Type: Article
Times cited : (7)

References (25)
  • 5
    • 0002061484 scopus 로고
    • J. Lee, Phys. Rev. Lett. 71, 211 (1993); 71, 2354(E) (1993).
    • (1993) Phys. Rev. Lett. , vol.71 , pp. 211
    • Lee, J.1
  • 6
    • 35348994032 scopus 로고
    • J. Lee, Phys. Rev. Lett. 71, 211 (1993); 71, 2354(E) (1993).
    • (1993) Phys. Rev. Lett. , vol.71 , pp. 2354
  • 21
    • 2942650171 scopus 로고    scopus 로고
    • note
    • Ir. Eq. (A10), the expression inside the curly brackets is a symbolic representation of a functional operator for In H; e.g., an ith power in this binomial expansion denotes a true power when applied to dU and dV, but it denotes the order of the derivative (on In H) when applied to the partial derivative operators.
  • 23
    • 2942691443 scopus 로고    scopus 로고
    • note
    • This works because the values of P and β can be anywhere in the EoS extrapolation domain; they need not be at the state at which the simulation was performed and the EoS fitted.
  • 24
    • 2942630650 scopus 로고    scopus 로고
    • note
    • Note that each of the fitted EoSs can be used even well outside its extrapolation domain where its predictions could be very poor; in such a case, however, its net contribution would be weighted down in Eq. (A15).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.