HKUST Library Institutional Repository Banner

HKUST Institutional Repository >
Chemistry >
CHEM Journal/Magazine Articles >

Please use this identifier to cite or link to this item: http://hdl.handle.net/1783.1/7253
Title: Communication : Padé spectrum decomposition of Fermi function and Bose function
Authors: Hu, Jie
Xu, Ruixue
Yan, Yijing
Keywords: Bose-Einstein condensation
Fermion systems
Rational functions
Issue Date: 14-Sep-2010
Citation: Journal of chemical physics, v. 133, iss. 10, 101106, 2010
Abstract: 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. © 2010 American Institute of Physics.
Rights: Journal of Chemical Physics © copyright 2010 American Institute of Physics. The Journal's web site is located at http://jcp.aip.org
URI: http://hdl.handle.net/1783.1/7253
Appears in Collections:CHEM Journal/Magazine Articles

Files in This Item:

File Description SizeFormat
e101106.pdf720KbAdobe PDFView/Open

Find published version via OpenURL Link Resolver

All items in this Repository are protected by copyright, with all rights reserved.