4.5 Article

Charge self-consistent electronic structure calculations with dynamical mean-field theory using Quantum ESPRESSO, Wannier 90 and TRIQS

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

ABINIT: Overview and focus on selected capabilities

Aldo H. Romero et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Computer Science, Interdisciplinary Applications

ComDMFT: A massively parallel computer package for the electronic structure of correlated-electron systems

Sangkook Choi et al.

COMPUTER PHYSICS COMMUNICATIONS (2019)

Article Physics, Condensed Matter

Charge self-consistent many-body corrections using optimized projected localized orbitals

M. Schueler et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2018)

Review Mathematics, Interdisciplinary Applications

Recent Progress in First-Principles Methods for Computing the Electronic Structure of Correlated Materials

Fredrik Nilsson et al.

COMPUTATION (2018)

Article Computer Science, Interdisciplinary Applications

TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials

Markus Aichhorn et al.

COMPUTER PHYSICS COMMUNICATIONS (2016)

Article Computer Science, Interdisciplinary Applications

TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems

Priyanka Seth et al.

COMPUTER PHYSICS COMMUNICATIONS (2016)

Article Computer Science, Interdisciplinary Applications

TRIQS: A toolbox for research on interacting quantum systems

Olivier Parcollet et al.

COMPUTER PHYSICS COMMUNICATIONS (2015)

Article Computer Science, Interdisciplinary Applications

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions

Arash A. Mostofi et al.

COMPUTER PHYSICS COMMUNICATIONS (2014)

Article Physics, Condensed Matter

Strong Correlations from Hund’s Coupling

Antoine Georges et al.

Annual Review of Condensed Matter Physics (2011)

Review Physics, Condensed Matter

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)