Do you want to publish a course? Click here

Bayesian parametric analytic continuation of Greens functions

156   0   0.0 ( 0 )
 Added by Michael Rumetshofer
 Publication date 2019
  fields Physics
and research's language is English




Ask ChatGPT about the research

Bayesian parametric analytic continuation (BPAC) is proposed for the analytic continuation of noisy imaginary-time Greens function data as, e.g., obtained by continuous-time quantum Monte Carlo simulations (CTQMC). Within BPAC, the spectral function is inferred from a suitable set of parametrized basis functions. Bayesian model comparison then allows to assess the reliability of different parametrizations. The required evidence integrals of such a model comparison are determined by nested sampling. Compared to the maximum entropy method (MEM), routinely used for the analytic continuation of CTQMC data, the presented approach allows to infer whether the data support specific structures of the spectral function. We demonstrate the capability of BPAC in terms of CTQMC data for an Anderson impurity model (AIM) that shows a generalized Kondo scenario and compare the BPAC reconstruction to the MEM as well as to the spectral function obtained from the real-time fork tensor product state impurity solver where no analytic continuation is required. Furthermore, we present a combination of MEM and BPAC and its application to an AIM arising from the ab initio treatment of SrVO$_3$.



rate research

Read More

171 - A. Ostlin , L. Vitos , L. Chioncel 2017
We present a new charge self-consistent scheme combining Density Functional and Dynamical Mean Field Theory, which uses Greens function of multiple scattering-type. In this implementation the many-body effects are incorporated into the Kohn-Sham iterative scheme without the need for the numerically ill-posed analytic continuation of the Greens function and of the self-energy. This is achieved by producing the Kohn-Sham Hamiltonian in the sub-space of correlated partial waves and allows to formulate the Greens function directly on the Matsubara axis. The spectral moments of the Matsubara Greens function enable us to put together the real space charge density, therefore the charge self-consistency can be achieved. Our results for the spectral functions (density of states) and equation of state curves for transition metal elements, Fe, Ni and FeAl compound agree very well with those of Hamiltonian based LDA+DMFT implementations. The current implementation improves on numerical accuracy, requires a minimal effort besides the multiple scattering formulation and can be generalized in several ways that are interesting for applications to real materials.
We present SpM, a sparse modeling tool for the analytic continuation of imaginary-time Greens function, licensed under GNU General Public License version 3. In quantum Monte Carlo simulation, dynamic physical quantities such as single-particle and magnetic excitation spectra can be obtained by applying analytic continuation to imaginary-time data. However, analytic continuation is an ill-conditioned inverse problem and thus sensitive to noise and statistical errors. SpM provides stable analytic continuation against noise by means of a modern regularization technique, which automatically selects bases that contain relevant information unaffected by noise. This paper details the use of this program and shows some applications.
372 - Pisheng Ding 2021
Via a unified geometric approach, a class of generalized trigonometric functions with two parameters are analytically extended to maximal domains on which they are univalent. Some consequences are deduced concerning commutation with rotation, continuation beyond the domain of univalence, and periodicity.
330 - Anders W. Sandvik 2015
A method for analytic continuation of imaginary-time correlation functions (here obtained in quantum Monte Carlo simulations) to real-frequency spectral functions is proposed. Stochastically sampling a spectrum parametrized by a large number of delta-functions, treated as a statistical-mechanics problem, it avoids distortions caused by (as demonstrated here) configurational entropy in previous sampling methods. The key development is the suppression of entropy by constraining the spectral weight to within identifiable optimal bounds and imposing a set number of peaks. As a test case, the dynamic structure factor of the S=1/2 Heisenberg chain is computed. Very good agreement is found with Bethe Ansatz results in the ground state (including a sharp edge) and with exact diagonalization of small systems at elevated temperatures.
125 - Josef Kaufmann 2021
We present the Python package ana_cont for the analytic continuation of fermionic and bosonic many-body Greens functions by means of either the Pade approximants or the maximum entropy method. The determination of hyperparameters and the implementation are described in detail. The code is publicly available on GitHub, where also documentation and learning resources are provided.
comments
Fetching comments Fetching comments
Sign in to be able to follow your search criteria
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا