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2
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109
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85037507273
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note
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The same basic assumption, essentialy that rotation occurs initially with-out tumbling, is used in formulating the short-time dynamics of molecular fluids. See Ref. 82.
-
-
-
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110
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85037496050
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note
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The classical statistical mechanical average of a variable X is a Boltzmann-weighted integral over phase space 〈X〉 = ∫dΓ X exp ( - βH)/∫Γ exp( - βH). Inasmuch as the system Hamiltonian, H, and the phase-space volume element, dΓ, are unchanged under a symmetry operation, X cannot change sign under the operation either if the average is to be nonzero.
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111
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0042787161
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Ph.D. thesis, Brown University
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J. Jang, Ph.D. thesis, Brown University, 2000.
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Jang, J.1
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85037516371
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-
note
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γλ.
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114
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85037514323
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note
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Following the arguments presented in Ret. 85, we can show that Eq. (3.17), the variance for each configuration, diverges logarithmically at long times.
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-
-
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115
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85037499779
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note
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Precisely this same kind of short-time non-Gaussian behavior was found with the distribution of fluctuating forces relevant to vibrational relaxation. Refs. 69 and 85.
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-
-
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118
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85037521340
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note
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-1.
-
-
-
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119
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85037511465
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note
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LJ. The algorithm proposed by Berne and Harp (Ref. 95) differed slightly in that it used analytical values for the polynomial coefficients.
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-
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120
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0003474751
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Cambridge University Press, Cambridge
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121
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85037505522
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note
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2)〈A(t)A(0)〉.
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-
-
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122
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85037507822
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note
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It is possible to show that for a harmonic solute bilinearly coupled to a harmonic bath, the friction and the physical force autocorrelation function with a rigid solute are always identical (Ref. 74). Aside from the special features brought in by considering rotational degrees of freedom, our result is largely a realization of this theorem.
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