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The Overlapping distribution method was introduced by Charles H. Bennett for estimating chemical potential. == Theory == For two N particle systems 0 and 1 with partition function and , from get the thermodynamic free energy difference is For every configuration visited during this sampling of system 1 we can compute the potential energy U as a function of the configuration space, and the potential energy difference is Now construct a probability density of the potential energy from the above equation: is a configurational part of a partition function p_(\Delta U) = \frac)\delta(U_-U_-\Delta U)}\exp(U) )\delta(U_-U_-\Delta U)}}\exp(-\beta U_)\delta(U_-U_-\Delta U)}}(\Delta U) since now define two functions: f_(\Delta U) = \ln p_(\Delta U) + \frac thus that and can be obtained by fitting and 抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)』 ■ウィキペディアで「Overlapping distribution method」の詳細全文を読む スポンサード リンク
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