Assessing the G0W0Γ0(1) Approach: Beyond G0W0 with Hedin’s Full Second-Order Self-Energy Contribution

Low-Scaling GW with Benchmark Accuracy and Application to Phosphorene Nanosheets

(2021) Jan Wilhelm et al.   Journal of Chemical Theory and Computation

Beryllium and Magnesium Metal Clusters: New Globally Stable Structures and G0W0 Calculations

(2021) Sunila Bakhsh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

All-electron periodic G0W0 implementation with numerical atomic orbital basis functions: Algorithm and benchmarks

(2021) Xinguo Ren et al.   Physical Review Materials

Reproducibility in G0W0 calculations for solids

(2020) Tonatiuh Rangel et al.   COMPUTER PHYSICS COMMUNICATIONS

Robust Analytic-Continuation Approach to Many-Body GW Calculations

(2020) Ivan Duchemin et al.   Journal of Chemical Theory and Computation

Density-Based Basis-Set Incompleteness Correction for GW Methods

(2020) Pierre-François Loos et al.   Journal of Chemical Theory and Computation

Renormalized Singles Green’s Function for Quasi-Particle Calculations beyond the G0W0 Approximation

(2019) Ye Jin et al.   Journal of Physical Chemistry Letters

Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionals

(2019) Duminda S. Ranasinghe et al.   JOURNAL OF CHEMICAL PHYSICS

The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

(2019) Dorothea Golze et al.   Frontiers in Chemistry

Quantum embedding theory in the screened Coulomb interaction: Combining configuration interaction with GW/BSE

(2019) Marc Dvorak et al.   Physical Review Materials

Real-Space Based Benchmark of G0W0 Calculations on GW100: Effects of Semicore Orbitals and Orbital Reordering

(2019) Weiwei Gao et al.   Journal of Chemical Theory and Computation

Stochastic Vertex Corrections: Linear Scaling Methods for Accurate Quasiparticle Energies

(2019) Vojtěch Vlček   Journal of Chemical Theory and Computation

On the Relation Between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation

(2018) Malte F. Lange et al.   Journal of Chemical Theory and Computation

Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis

(2018) Dorothea Golze et al.   Journal of Chemical Theory and Computation

A Finite-Field Approach for GW Calculations beyond the Random Phase Approximation

(2018) He Ma et al.   Journal of Chemical Theory and Computation

GW Vertex Corrected Calculations for Molecular Systems

(2017) Emanuele Maggio et al.   Journal of Chemical Theory and Computation

Accurate description of the electronic structure of organic semiconductors byGWmethods

(2017) Noa Marom   JOURNAL OF PHYSICS-CONDENSED MATTER

Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes

(2016) Tonatiuh Rangel et al.   Journal of Chemical Theory and Computation

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit

(2016) Ryan M. Richard et al.   Journal of Chemical Theory and Computation

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods

(2016) Joseph W. Knight et al.   Journal of Chemical Theory and Computation

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods

(2016) O. Dolgounitcheva et al.   Journal of Chemical Theory and Computation

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals

(2016) Lukas Gallandi et al.   Journal of Chemical Theory and Computation

GW100: Benchmarking G0W0 for Molecular Systems

(2015) Michiel J. van Setten et al.   Journal of Chemical Theory and Computation

Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods

(2015) Katharina Krause et al.   MOLECULAR PHYSICS

Diagrammatic expansion for positive density-response spectra: Application to the electron gas

(2015) A.-M. Uimonen et al.   PHYSICAL REVIEW B

Beyond theGWapproximation: A second-order screened exchange correction

(2015) Xinguo Ren et al.   PHYSICAL REVIEW B

Diagrammatic expansion for positive spectral functions beyondGW: Application to vertex corrections in the electron gas

(2014) G. Stefanucci et al.   PHYSICAL REVIEW B

Ionization Potentials of Solids: The Importance of Vertex Corrections

(2014) Andreas Grüneis et al.   PHYSICAL REVIEW LETTERS

Self-consistentGW: All-electron implementation with localized basis functions

(2013) Fabio Caruso et al.   PHYSICAL REVIEW B

Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks

(2013) Xinguo Ren et al.   PHYSICAL REVIEW B

Benchmarking the Starting Points of the GW Approximation for Molecules

(2012) Fabien Bruneval et al.   Journal of Chemical Theory and Computation

The GW-Method for Quantum Chemistry Applications: Theory and Implementation

(2012) M. J. van Setten et al.   Journal of Chemical Theory and Computation

Electron–phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory

(2012) Carina Faber et al.   JOURNAL OF MATERIALS SCIENCE

Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 andGWwith numeric atom-centered orbital basis functions

(2012) Xinguo Ren et al.   NEW JOURNAL OF PHYSICS

Assessment of correlation energies based on the random-phase approximation

(2012) Joachim Paier et al.   NEW JOURNAL OF PHYSICS

Benchmark ofGWmethods for azabenzenes

(2012) Noa Marom et al.   PHYSICAL REVIEW B

Beyond theGWapproximation: Combining correlation channels

(2012) Pina Romaniello et al.   PHYSICAL REVIEW B

Unified description of ground and excited states of finite systems: The self-consistentGWapproach

(2012) F. Caruso et al.   PHYSICAL REVIEW B

Electron correlation methods based on the random phase approximation

(2012) Henk Eshuis et al.   THEORETICAL CHEMISTRY ACCOUNTS

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures

(2011) Jack Deslippe et al.   COMPUTER PHYSICS COMMUNICATIONS

An O(N3) implementation of Hedin's GW approximation for molecules

(2011) D. Foerster et al.   JOURNAL OF CHEMICAL PHYSICS

He I Ultraviolet Photoelectron Spectroscopy of Benzene and Pyridine in Supersonic Molecular Beams Using Photoelectron Imaging

(2011) Suet-Yi Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Analysis of exact vertex function for improving on the GWΓscheme for first-principles calculation of electron self-energy

(2011) Hideaki Maebashi et al.   PHYSICAL REVIEW B

First-principlesGWcalculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications

(2011) X. Blase et al.   PHYSICAL REVIEW B

On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions

(2010) Georg Jansen et al.   JOURNAL OF CHEMICAL PHYSICS

Analytical continuation of imaginary axis data for optical conductivity

(2010) O. Gunnarsson et al.   PHYSICAL REVIEW B

Fully self-consistent GW calculations for molecules

(2010) C. Rostgaard et al.   PHYSICAL REVIEW B

Efficient implementation of theGWapproximation within the all-electron FLAPW method

(2010) Christoph Friedrich et al.   PHYSICAL REVIEW B

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

Making the random phase approximation to electronic correlation accurate

(2009) Andreas Grüneis et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient integration for all-electron electronic structure calculation using numeric basis functions

(2009) V. Havu et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Localized and Itinerant States in Lanthanide Oxides United byGW @ LDA+U

(2009) Hong Jiang et al.   PHYSICAL REVIEW LETTERS