Chin. Phys. Lett.  2017, Vol. 34 Issue (7): 077102    DOI: 10.1088/0256-307X/34/7/077102
 CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
Xing-Jie Han1,2, Hai-Jun Liao1,2, Hai-Dong Xie1,2, Rui-Zhen Huang1,2, Zi-Yang Meng1,2, Tao Xiang1,2,3**
1Institute of Physics, Chinese Academy of Sciences, Beijing 100190
2University of Chinese Academy of Sciences, Beijing 100049
3Collaborative Innovation Center of Quantum Matter, Beijing 100190
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Abstract The ill-posed analytic continuation problem for Green's functions or self-energies can be carried out using the Padé rational polynomial approximation. However, to extract accurate results from this approximation, high precision input data of the Matsubara Green function are needed. The calculation of the Matsubara Green function generally involves a Matsubara frequency summation, which cannot be evaluated analytically. Numerical summation is requisite but it converges slowly with the increase of the Matsubara frequency. Here we show that this slow convergence problem can be significantly improved by utilizing the Padé decomposition approach to replace the Matsubara frequency summation by a Padé frequency summation, and high precision input data can be obtained to successfully perform the Padé analytic continuation.
Received: 11 April 2017      Published: 23 June 2017
 PACS: 71.15.Dx (Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction)) 02.70.Hm (Spectral methods)
Fund: Supported by the National Natural Science Foundation of China under Grant Nos 11474331 and 11190024.
 TRENDMD: Cite this article: Xing-Jie Han, Hai-Jun Liao, Hai-Dong Xie et al  2017 Chin. Phys. Lett. 34 077102 URL: http://cpl.iphy.ac.cn/10.1088/0256-307X/34/7/077102       OR      http://cpl.iphy.ac.cn/Y2017/V34/I7/077102
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