- Research Article
3
- 10.1103/physrevb.106.245150
Parameter-free analytic continuation for quantum many-body calculations
- Dec 29, 2022
- Physical Review B
- Mancheon Han + 1 more +1
We develop a reliable parameter-free analytic continuation method for quantum\nmany-body calculations. Our method is based on a kernel grid, a causal spline,\na regularization using the second-derivative roughness penalty, and the L-curve\ncriterion. We also develop the L-curve averaged deviation to estimate the\nprecision of our analytic continuation. To deal with statistically obtained\ndata more efficiently, we further develop a bootstrap-averaged analytic\ncontinuation method. In the test using the exact imaginary-frequency Green's\nfunction with added statistical error, our method produces the spectral\nfunction that converges systematically to the exact one as the statistical\nerror decreases. As an application, we simulate the two-orbital Hubbard model\nfor various electron numbers with the dynamical-mean field theory in the\nimaginary time and obtain the real-frequency self-energy with our analytic\ncontinuation method, clearly identifying a non-Fermi liquid behavior as the\nelectron number approaches the half filling from the quarter filling. Our\nanalytic continuation can be used widely and it will facilitate drawing clear\nconclusions from imaginary-time quantum many-body calculations.\n
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