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Volumn 56, Issue 5, 1997, Pages 5018-5035

Equilibrium free-energy differences from nonequilibrium measurements: A master-equation approach

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[No Author keywords available]

Indexed keywords


EID: 4244116139     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.56.5018     Document Type: Article
Times cited : (1286)

References (34)
  • 6
    • 85037234678 scopus 로고    scopus 로고
    • We assume these initial conditions regardless of whether or not the thermalization assumption mentioned above is met. Thus, even if, for instance, the system is isolated during the switching process, we still assume that it was earlier allowed to thermalize with some heat reservoir
    • We assume these initial conditions regardless of whether or not the thermalization assumption mentioned above is met. Thus, even if, for instance, the system is isolated during the switching process, we still assume that it was earlier allowed to thermalize with some heat reservoir.
  • 7
    • 85037255191 scopus 로고    scopus 로고
    • Gaun E. Crooks (unpublished)
    • Gaun E. Crooks (unpublished).
  • 8
    • 0003437218 scopus 로고
    • Addison-Wesley, Reading, MA
    • H. Goldstein, Classical Mechanics, 2nd ed. (Addison-Wesley, Reading, MA, 1980), Secs. 10-5 and 11-7.
    • (1980) Classical Mechanics
    • Goldstein, H.1
  • 17
    • 0003990679 scopus 로고
    • North-Holland, Amsterdam
    • Simulations of Liquids and Solids, edited by D. Frenkel, I. R. McDonald, and G. Ciccotti (North-Holland, Amsterdam, 1986), Chap. 2;
    • (1986) Simulations of Liquids and Solids
  • 28
    • 0000226546 scopus 로고
    • L.-W. Tsao, S.-Y. Sheu, and C.-Y. Mou, J. Chem. Phys. 101, 2302 (1994).JCPSA6
    • (1994) J. Chem. Phys. , vol.101 , pp. 2302
  • 30
    • 85037201406 scopus 로고    scopus 로고
    • This is easy to see: Typically sampled values of (Formula presented) are those within a standard deviation or so of the maximum of (Formula presented), while the values of (Formula presented) that are most important in determining (Formula presented) are those near the maximum of (Formula presented). As a general rule, the two sets will overlap significantly only if the function (Formula presented) does not change much over one standard deviation in (Formula presented)
    • This is easy to see: Typically sampled values of (Formula presented) are those within a standard deviation or so of the maximum of (Formula presented), while the values of (Formula presented) that are most important in determining (Formula presented) are those near the maximum of (Formula presented). As a general rule, the two sets will overlap significantly only if the function (Formula presented) does not change much over one standard deviation in (Formula presented).
  • 31
    • 85037204354 scopus 로고    scopus 로고
    • Stimulating correspondence with D. Frenkel on this point is gratefully acknowledged
    • Stimulating correspondence with D. Frenkel on this point is gratefully acknowledged.
  • 34
    • 85037193742 scopus 로고    scopus 로고
    • Indeed, “the free energy of the system at the end of the switching process” is not a well-defined quantity since the statistical state of the system does not correspond to canonical equilibrium
    • Indeed, “the free energy of the system at the end of the switching process” is not a well-defined quantity since the statistical state of the system does not correspond to canonical equilibrium.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.