Literature DB >> 20849157

Communication: Padé spectrum decomposition of Fermi function and Bose function.

Jie Hu1, Rui-Xue Xu, Yijing Yan.   

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.

Year:  2010        PMID: 20849157     DOI: 10.1063/1.3484491

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Open Quantum Dynamics Calculations with the Hierarchy Equations of Motion on Parallel Computers.

Authors:  Johan Strümpfer; Klaus Schulten
Journal:  J Chem Theory Comput       Date:  2012-06-15       Impact factor: 6.006

Review 2.  Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green's Function Techniques.

Authors:  Leonardo Medrano Sandonas; Rafael Gutierrez; Alessandro Pecchia; Alexander Croy; Gianaurelio Cuniberti
Journal:  Entropy (Basel)       Date:  2019-07-27       Impact factor: 2.524

  2 in total

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