Fully self-consistent finite-temperature in Gaussian Bloch orbitals for solids
We present algorithmic and implementation details for the fully self-consistent finite-
temperature GW method in Gaussian Bloch orbitals for solids. Our implementation is based …
temperature GW method in Gaussian Bloch orbitals for solids. Our implementation is based …
Stochastic vector techniques in ground-state electronic structure
We review a suite of stochastic vector computational approaches for studying the electronic
structure of extended condensed matter systems. These techniques help reduce algorithmic …
structure of extended condensed matter systems. These techniques help reduce algorithmic …
Comparing Self-Consistent GW and Vertex-Corrected G0W0 (G0W0Γ) Accuracy for Molecular Ionization Potentials
We test the performance of self-consistent GW and several representative implementations
of vertex-corrected G 0 W 0 (G 0 W 0Γ). These approaches are tested on benchmark data …
of vertex-corrected G 0 W 0 (G 0 W 0Γ). These approaches are tested on benchmark data …
Multiscale space-time ansatz for correlation functions of quantum systems based on quantics tensor trains
The correlation functions of quantum systems—central objects in quantum field theories—
are defined in high-dimensional space-time domains. Their numerical treatment thus suffers …
are defined in high-dimensional space-time domains. Their numerical treatment thus suffers …
Sparse modeling in quantum many-body problems
This review paper describes the basic concept and technical details of sparse modeling and
its applications to quantum many-body problems. Sparse modeling refers to methodologies …
its applications to quantum many-body problems. Sparse modeling refers to methodologies …
Sparse sampling approach to efficient ab initio calculations at finite temperature
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 …
representations of the Green's functions both in imaginary time and in Matsubara frequency …
Low-order scaling quasiparticle self-consistent GW for molecules
A Förster, L Visscher - Frontiers in Chemistry, 2021 - frontiersin.org
Low-order scaling GW implementations for molecules are usually restricted to
approximations with diagonal self-energy. Here, we present an all-electron implementation …
approximations with diagonal self-energy. Here, we present an all-electron implementation …
Discrete Lehmann representation of imaginary time Green's functions
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 …
decomposition of the spectral Lehmann representation. The basis functions are simply a set …
Minimal pole representation and controlled analytic continuation of Matsubara response functions
Analytic continuation is a central step in the simulation of finite-temperature field theories in
which numerically obtained Matsubara data are continued to the real frequency axis for a …
which numerically obtained Matsubara data are continued to the real frequency axis for a …
Self-energy embedding theory (SEET) for periodic systems
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 …
systems and provide a fully self-consistent embedding solution for a simple realistic periodic …