Compressing Green's function using intermediate representation between imaginary-time and real-frequency domains

H Shinaoka, J Otsuki, M Ohzeki, K Yoshimi - Physical Review B, 2017 - APS
Model-independent compact representations of imaginary-time data are presented in terms
of the intermediate representation (IR) of analytical continuation. We demonstrate the …

Sparse sampling approach to efficient ab initio calculations at finite temperature

J Li, M Wallerberger, N Chikano, CN Yeh, E Gull… - Physical Review B, 2020 - APS
Efficient ab initio calculations of correlated materials at finite temperatures require compact
representations of the Green's functions both in imaginary time and in Matsubara frequency …

Implementation of the maximum entropy method for analytic continuation

R Levy, JPF LeBlanc, E Gull - Computer Physics Communications, 2017 - Elsevier
We present Maxent, a tool for performing analytic continuation of spectral functions using the
maximum entropy method. The code operates on discrete imaginary axis datasets (values …

Discrete Lehmann representation of imaginary time Green's functions

J Kaye, K Chen, O Parcollet - Physical Review B, 2022 - APS
We present an efficient basis for imaginary time Green's functions based on a low-rank
decomposition of the spectral Lehmann representation. The basis functions are simply a set …

Self-energy embedding theory (SEET) for periodic systems

AA Rusakov, S Iskakov, LN Tran… - Journal of chemical theory …, 2018 - ACS Publications
We present an implementation of the self-energy embedding theory (SEET) for periodic
systems and provide a fully self-consistent embedding solution for a simple realistic periodic …

[HTML][HTML] Self-consistent second-order Green's function perturbation theory for periodic systems

AA Rusakov, D Zgid - The Journal of chemical physics, 2016 - pubs.aip.org
Despite recent advances, systematic quantitative treatment of the electron correlation
problem in extended systems remains a formidable task. Systematically improvable Green's …

On the Relation between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation

MF Lange, TC Berkelbach - Journal of chemical theory and …, 2018 - ACS Publications
We discuss the analytic and diagrammatic structure of ionization potential (IP) and electron
affinity (EA) equation-of-motion coupled-cluster (EOM-CC) theory, in order to put it on equal …

Finite temperature quantum embedding theories for correlated systems

D Zgid, E Gull - New Journal of Physics, 2017 - iopscience.iop.org
The cost of the exact solution of the many-electron problem is believed to be exponential in
the number of degrees of freedom, necessitating approximations that are controlled and …

Low rank compression in the numerical solution of the nonequilibrium Dyson equation

J Kaye, D Golez - SciPost Physics, 2021 - scipost.org
We propose a method to improve the computational and memory efficiency of numerical
solvers for the nonequilibrium Dyson equation in the Keldysh formalism. It is based on the …