Wannier90 as a community code: new features and applications (original) (raw)

Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory

Scientific Data, 2021

Phase Space Wannier Functions in Electronic Structure Calculations

2010

Bottom-up multi-orbital mapping of self-energy corrected electronic structure in maximally hybridized atomic Wannier orbital basis

Joydev De

2020

View PDFchevron_right

Calculating Dispersion Interactions using Maximally Localised Wannier Functions

Nicholas Hine

cmth.ph.ic.ac.uk

View PDFchevron_right

Order- N projection method for first-principles computations of electronic quantities and Wannier functions

David Drabold

Physical Review B, 1998

View PDFchevron_right

Characterization of the electronic structure of crystalline compounds through their localized Wannier functions

Alberto Bert

The Journal of Chemical Physics, 2002

View PDFchevron_right

Wannier functions and locality properties of solids in the many-body context

Stefan Goedecker

arXiv (Cornell University), 1999

View PDFchevron_right

Self-energy correction in basis of atomic Wannier orbtials

Manoar Hossain

arXiv: Materials Science, 2020

View PDFchevron_right

Calculating dispersion interactions using maximally localized Wannier functions

Lampros Andrinopoulos

The Journal of Chemical …, 2011

View PDFchevron_right

First-principles Wannier functions and effective lattice fermion models for narrow-band compounds

I. Solovyev

Physical Review B, 2006

View PDFchevron_right

Construction of Wannier functions from localized atomiclike orbitals

I. Solovyev

Physical Review B, 2007

View PDFchevron_right

Wannier-function approach to spin excitations in solids

Ersoy Sasioglu

Physical Review B, 2010

View PDFchevron_right

Hubbard- U calculations for Cu from first-principle Wannier functions

Robert C Albers

Physical Review B, 2002

View PDFchevron_right

Maximally localized Wannier functions in LaMnO3within PBE +U, hybrid functionals and partially self-consistent GW: an efficient route to constructab initiotight-binding parameters for egperovskites

Sowmya Murthy

Journal of Physics: Condensed Matter, 2012

View PDFchevron_right

Van der Waals Interactions in DFT using Wannier Functions: improved C_6C_6C6 and C3C_3C_3 coefficients by a new approach

Pier Silvestrelli

View PDFchevron_right

Optimally localized Wannier functions within the Vanderbilt ultrasoft pseudo-potential formalism

Leonardo Bernasconi

Journal of Molecular Structure-theochem, 2001

View PDFchevron_right

Dynamical mean-field theory using Wannier functions: A flexible route to electronic structure calculations of strongly correlated materials

A. Georges

Physical Review B, 2006

View PDFchevron_right

Wannier functions approach to van der Waals interactions in ABINIT

Yann Pouillon

Computer Physics Communications

View PDFchevron_right

EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions

Roxana Margine

Computer Physics Communications, 2016

View PDFchevron_right

Maximally localized Wannier functions within the FLAPW formalism

S. Blügel

Physical Review B, 2008

View PDFchevron_right

Axion coupling in the hybrid Wannier representation

Nicodemos Varnava

Physical Review B, 2020

View PDFchevron_right

Wannier Functions and the Phases of the Bloch Functions

Nelson Maldonado Parada

Physical Review B, 1970

View PDFchevron_right

Van der Waals interactions in density functional theory by combining the quantum harmonic oscillator-model with localized Wannier functions

Pier Silvestrelli

The Journal of Chemical Physics, 2013

View PDFchevron_right

Maximally localized Wannier functions for ultracold atoms in one-dimensional double-well periodic potentials

Giulio Pettini

New Journal of Physics, 2012

View PDFchevron_right

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

Ugur Bozkaya

View PDFchevron_right

Recent advances and perspectives in four-component Dirac–Kohn–Sham calculations

Loriano Storchi

Physical Chemistry Chemical Physics, 2011

View PDFchevron_right

A Hartree-Fock ab initio band-structure calculation employing Wannier-type orbitals

Alok Shukla, Peter Fulde

View PDFchevron_right

First-principles approach to electric polarization and dielectric constant calculations using generalized Wannier functions

Paweł Lenarczyk

2019

View PDFchevron_right

First-principles calculation of effective onsite Coulomb interactions of 3d transition metals: Constrained local density functional approach with maximally localized Wannier functions

Shinji TSUNEYUKI

Physical Review B, 2006

View PDFchevron_right

Ab-initio Wannier Functions, Coulomb Matrix Elements , Hartree (-Fock) and LSDA Calculations for the 3d Transition Metals Fe, Co, Ni and Cu

Robert C Albers

View PDFchevron_right

ARC 3.0: An expanded Python toolbox for atomic physics calculations

Robert Potvliege

Computer Physics Communications, 2021

View PDFchevron_right

Band selection and disentanglement using maximally localized Wannier functions: the cases of Co impurities in bulk copper and the Cu(111) surface

Miguel Pruneda

Journal of Physics: Condensed Matter, 2010

View PDFchevron_right

Wannier90 as a community code: new features and applications (original) (raw)

Related papers