85 citations · 163 across the 11 of their papers we have counts for
11 papers
Quasi-periodicity enforces Berry phase discontinuity in crystals
Emanuele Maggio
The Berry phase of an isolated electronic state is evaluated for different integration paths in reciprocal space, thanks to Riemann-Bloch states providing a consistent description…
Berry Phase of Bloch States through Modular Symmetries
Emanuele Maggio
The theoretical identification of crystalline topological materials has enjoyed sustained success in simplified materials models, often by singling out discrete symmetry operations…
Exploiting functions for the identification of topological materials
Emanuele Maggio
An exact analytical expression is derived for Bloch states in three dimensions, based on the only assumption that the electronic wavefunction can be expanded in terms of Gaussian t…
Local symmetry groups for arbitrary wavevectors
Emanuele Maggio, Andriy Smolyanyuk, Jan M. Tomczak
We present an algorithm for the determination of the local symmetry group for arbitrary k-points in 3D Brillouin zones. First, we test our implementation against tabulated results…
LinReTraCe: The Linear Response Transport Centre
Matthias Pickem, Emanuele Maggio, Jan M. Tomczak
We describe the "Linear Response Transport Centre" (LinReTraCe), a package for the simulation of transport properties of solids. LinReTraCe captures quantum (in)coherence effects b…
Prototypical many-body signatures in transport properties of semiconductors
Matthias Pickem, Emanuele Maggio, Jan M. Tomczak
We devise a methodology for charge, heat, and entropy transport driven by carriers with finite lifetimes. Combining numerical simulations with analytical expressions for low temper…
Resistivity saturation in Kondo insulators
Matthias Pickem, Emanuele Maggio, Jan M. Tomczak
Resistivities of heavy-fermion insulators typically saturate below a characteristic temperature . For some, metallic surface states, potentially from a non-trivial bulk topolo…
vertex corrected calculations for molecular systems
Emanuele Maggio, Georg Kresse
Hedin's scheme is solved with the inclusion of the vertex function () for a set of small molecules. The computational scheme allows for the consistent inclusion of the vertex…
100: a plane wave perspective for small molecules
Emanuele Maggio, Peitao Liu, Michiel J. van Setten +1
In a recent work, van Setten and coworkers have presented a carefully converged study of 100 closed shell molecules [J. Chem. Theory Comput. 11, 5665 (2015)]. For two diff…
Correlation energy for the homogeneous electron gas: exact Bethe-Salpeter solution and new approximate evaluation
Emanuele Maggio, Georg Kresse
The correlation energy of the homogeneous electron gas is evaluated by solving the Bethe-Salpeter equation (BSE) beyond the Tamm-Dancoff approximation for the electronic polarisati…
Singles correlation energy contributions in solids
Jiří Klimeš, Merzuk Kaltak, Emanuele Maggio +1
The random phase approximation to the correlation energy often yields highly accurate results for condensed matter systems. However, ways how to improve its accuracy are being soug…