The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …
predicting electronic excitations in chemical compounds and materials. In the realm of …
Simulating quantum materials with digital quantum computers
Quantum materials exhibit a wide array of exotic phenomena and practically useful
properties. A better understanding of these materials can provide deeper insights into …
properties. A better understanding of these materials can provide deeper insights into …
Density matrix embedding: A simple alternative to dynamical mean-field theory
We introduce density matrix embedding theory (DMET), a quantum embedding theory for
computing frequency-independent quantities, such as ground-state properties, of infinite …
computing frequency-independent quantities, such as ground-state properties, of infinite …
Hybrid quantum-classical approach to correlated materials
Recent improvements in the control of quantum systems make it seem feasible to finally
build a quantum computer within a decade. While it has been shown that such a quantum …
build a quantum computer within a decade. While it has been shown that such a quantum …
Efficient real-frequency solver for dynamical mean-field theory
We here present how a self-consistent solution of the dynamical mean-field theory equations
can be obtained using exact diagonalization of an Anderson impurity model with accuracies …
can be obtained using exact diagonalization of an Anderson impurity model with accuracies …
Equilibrium quantum impurity problems via matrix product state encoding of the retarded action
In the 0+ 1-dimensional imaginary-time path integral formulation of quantum impurity
problems, the retarded action encodes the hybridization of the impurity with the bath. In this …
problems, the retarded action encodes the hybridization of the impurity with the bath. In this …
Fork tensor-product states: efficient multiorbital real-time DMFT solver
We present a tensor network especially suited for multi-orbital Anderson impurity models
and as an impurity solver for multi-orbital dynamical mean-field theory (DMFT). The solver …
and as an impurity solver for multi-orbital dynamical mean-field theory (DMFT). The solver …
Configuration interaction based nonequilibrium steady state impurity solver
D Werner, J Lotze, E Arrigoni - Physical Review B, 2023 - APS
We present a solver for correlated impurity problems out of equilibrium based on a
combination of the so-called auxiliary master equation approach (AMEA) and the …
combination of the so-called auxiliary master equation approach (AMEA) and the …
Time-dependent density matrix renormalization group algorithms for nearly exact absorption and fluorescence spectra of molecular aggregates at both zero and finite …
We implement and apply time-dependent density matrix renormalization group (TD-DMRG)
algorithms at zero and finite temperature to compute the linear absorption and fluorescence …
algorithms at zero and finite temperature to compute the linear absorption and fluorescence …
Interacting-bath dynamical embedding for capturing nonlocal electron correlation in solids
Quantitative simulation of electronic structure of solids requires treating local and nonlocal
electron correlations on an equal footing. We present a new ab initio formulation of Green's …
electron correlations on an equal footing. We present a new ab initio formulation of Green's …