Communication: Padé spectrum decomposition of Fermi function and Bose function.
نویسندگان
چکیده
Padé approximant is exploited for an efficient sum-over-poles decomposition of Fermi and Bose functions. The resulting poles are all pure imaginary and can therefore be used to define Padé frequencies, in analogy with the celebrated Matsubara frequencies. The proposed Padé spectrum decomposition is shown to be equivalent to a truncated continued fraction. It converges significantly faster than other schemes such as the Matsubara expansion at all temperatures. By introducing the characteristic validity length as the measure of approximant, we analyze the convergence properties of different schemes thoroughly. Our results qualify the present scheme the best among all sum-over-poles approaches. Thus, it is of great value in efficient numerical evaluations of integrals involving Fermi/Bose function in various condensed-phase matter problems.
منابع مشابه
Padé spectrum decompositions of quantum distribution functions and optimal hierarchical equations of motion construction for quantum open systems.
Padé spectrum decomposition is an optimal sum-over-poles expansion scheme of Fermi function and Bose function [J. Hu, R. X. Xu, and Y. J. Yan, J. Chem. Phys. 133, 101106 (2010)]. In this work, we report two additional members to this family, from which the best among all sum-over-poles methods could be chosen for different cases of application. Methods are developed for determining these three ...
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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 133 10 شماره
صفحات -
تاریخ انتشار 2010