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 …
Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory
Strong electronic correlations pose one of the biggest challenges to solid state theory.
Recently developed methods that address this problem by starting with the local, eminently …
Recently developed methods that address this problem by starting with the local, eminently …
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 …
Phase diagram of nickelate superconductors calculated by dynamical vertex approximation
We review the electronic structure of nickelate superconductors with and without effects of
electronic correlations. As a minimal model, we identify the one-band Hubbard model for the …
electronic correlations. As a minimal model, we identify the one-band Hubbard model for the …
Quantum embedding theories to simulate condensed systems on quantum computers
Quantum computers hold promise to improve the efficiency of quantum simulations of
materials and to enable the investigation of systems and properties that are more complex …
materials and to enable the investigation of systems and properties that are more complex …
Beyond the quasiparticle approximation: Fully self-consistent calculations
We present quasiparticle (QP) energies from fully self-consistent GW (sc GW) calculations
for a set of prototypical semiconductors and insulators within the framework of the projector …
for a set of prototypical semiconductors and insulators within the framework of the projector …
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 …
Ab initio description of highly correlated states in defects for realizing quantum bits
Coupled localized electron spins hosted by defects in semiconductors implement quantum
bits with the potential to revolutionize nanoscale sensors and quantum information …
bits with the potential to revolutionize nanoscale sensors and quantum information …
Can GW handle multireference systems?
Due to the infinite summation of bubble diagrams, the GW approximation of Green's function
perturbation theory has proven particularly effective in the weak correlation regime, where …
perturbation theory has proven particularly effective in the weak correlation regime, where …
Thermoelectricity in correlated narrow-gap semiconductors
We review many-body effects, their microscopic origin, as well as their impact on
thermoelectricity in correlated narrow-gap semiconductors. Members of this class—such as …
thermoelectricity in correlated narrow-gap semiconductors. Members of this class—such as …