Calculation of transport coefficients using a modified Mori formalism
- 1 July 1986
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 58 (4) , 789-797
- https://doi.org/10.1080/00268978600101571
Abstract
Transport coefficients calculated using the conventional version of Mori's continued-fraction formalism will in general be incorrect because of the approximate nature of the closure one must supply for a memory function. This is true even if the truncation is applied at arbitrarily high order. We propose an alternative method which involves taking the geometric mean of two successive levels of approximation. This yields the correct result in the absence of long-time tails.Keywords
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