Band-Gap Problem in Semiconductors Revisited: Effects of Core States and Many-Body Self-Consistency
|
journal
|
August 2002 |
A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules
|
journal
|
June 2015 |
Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach
|
journal
|
October 2013 |
Optical properties of solids within the independent-quasiparticle approximation: Dynamical effects
|
journal
|
November 1996 |
Self-consistent calculation of total energies of the electron gas using many-body perturbation theory
|
journal
|
January 2001 |
Coulomb-hole summations and energies for calculations with limited number of empty orbitals: A modified static remainder approach
|
journal
|
April 2013 |
Electron transmission study of the temporary negative ion states of selected benzenoid and conjugated aromatic hydrocarbons
|
journal
|
January 1987 |
Self-consistent solution of the Dyson equation for atoms and molecules within a conserving approximation
|
journal
|
April 2005 |
Coupled-cluster calculations of the lowest 0–0 bands of the electronic excitation spectrum of naphthalene
|
journal
|
January 2014 |
Fully self-consistent GW calculations for atoms and molecules
|
journal
|
October 2006 |
GW Γ approximation for electron self-energies in semiconductors and insulators
|
journal
|
March 1994 |
Quasiparticle and optical properties of rutile and anatase
|
journal
|
August 2010 |
Compensation of Dynamical Quasiparticle and Vertex Corrections in Optical Spectra
|
journal
|
February 1997 |
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods
|
journal
|
January 2016 |
BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
|
journal
|
June 2012 |
Inclusion of Vertex Corrections in the Self-Consistent Calculation of Quasiparticles in Metals
|
journal
|
November 2001 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
|
journal
|
September 2009 |
Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules
|
journal
|
August 2014 |
Ground-state properties of simple elements from GW calculations
|
journal
|
July 2009 |
Lowest-order corrections to the RPA polarizability and GW self-energy of a semiconducting wire
|
journal
|
July 1996 |
All-electron methods implemented in molecular orbital space: Ionization energy and electron affinity of conjugated molecules
|
journal
|
November 2011 |
Influence of the Core-Valence Interaction and of the Pseudopotential Approximation on the Electron Self-Energy in Semiconductors
|
journal
|
September 2008 |
Many-Body Perturbation Theory Using the Density-Functional Concept: Beyond the Approximation
|
journal
|
May 2005 |
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
|
journal
|
October 1986 |
Implementation of an all-electron GW approximation based on the projector augmented wave method without plasmon pole approximation: Application to Si, SiC, AlAs, InAs, NaH, and KH
|
journal
|
April 2003 |
Ionization Potentials of Solids: The Importance of Vertex Corrections
|
journal
|
March 2014 |
Electronic excitations: density-functional versus many-body Green’s-function approaches
|
journal
|
June 2002 |
Ground and ionic states of 1,2,5-thiadiazoles: An UV-photoelectron spectroscopic and theoretical study
|
journal
|
March 2010 |
Vertex correction calculations for an electron gas
|
journal
|
September 1974 |
Electron linewidths of wide-gap insulators: Excitonic effects in
|
journal
|
August 2004 |
Theoretical study of the radiationless deactivation mechanisms of photo-excited thiophene
|
journal
|
March 2012 |
Fast and Accurate Electronic Excitations in Cyanines with the Many-Body Bethe–Salpeter Approach
|
journal
|
February 2014 |
TD-DFT benchmarks: A review
|
journal
|
April 2013 |
First-principles calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications
|
journal
|
March 2011 |
All-Electron Self-Consistent Approximation: Application to Si, MnO, and NiO
|
journal
|
September 2004 |
Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine
|
journal
|
April 2008 |
Benchmarking the Bethe–Salpeter Formalism on a Standard Organic Molecular Set
|
journal
|
June 2015 |
Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach
|
journal
|
October 2011 |
A benchmark theoretical study of the electron affinities of benzene and linear acenes
|
journal
|
August 2008 |
An experimental and theoretical study of the valence shell photoelectron spectrum of the benzene molecule
|
journal
|
November 1997 |
Benchmark of methods for azabenzenes
|
journal
|
December 2012 |
Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods
|
journal
|
March 2015 |
Penning Ionization of Thiophene, Furan, and Pyrrole by Collision with He*(2 3 S) Metastable Atoms
|
journal
|
January 1996 |
Improved local-field corrections to the approximation in jellium: Importance of consistency relations
|
journal
|
November 1997 |
The self-energy beyond GW: Local and nonlocal vertex corrections
|
journal
|
October 2009 |
Effect of self-consistency on quasiparticles in solids
|
journal
|
July 2006 |
Impact of widely used approximations to the G 0 W 0 method: an all-electron perspective
|
journal
|
February 2012 |
Systematic Vertex Corrections through Iterative Solution of Hedin's Equations Beyond the Approximation
|
journal
|
February 1998 |
Time-dependent density-functional theory for molecules and molecular solids
|
journal
|
November 2009 |
Modeling the Excited States of Biological Chromophores within Many-Body Green’s Function Theory
|
journal
|
November 2009 |
Fully self-consistent GW calculations for molecules
|
journal
|
February 2010 |
Lowest-order vertex-correction contribution to the direct gap of silicon
|
journal
|
April 1994 |
Benchmarking the performance of time-dependent density functional methods
|
journal
|
March 2012 |
GW 100: Benchmarking G 0 W 0 for Molecular Systems
|
journal
|
November 2015 |
New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
|
journal
|
August 1965 |
Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
|
journal
|
March 1998 |
Optical excitations in organic molecules, clusters, and defects studied by first-principles Green’s function methods
|
journal
|
May 2006 |
Effects of self-consistency and plasmon-pole models on calculations for closed-shell molecules
|
journal
|
September 2014 |
Quasiparticle Self-Consistent Theory
|
journal
|
June 2006 |
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions
|
journal
|
May 2012 |
Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
|
journal
|
December 1998 |
Levels of self-consistency in the GW approximation
|
journal
|
March 2009 |
Fully self-consistent and quasiparticle self-consistent for molecules
|
journal
|
April 2014 |
First-order corrections to random-phase approximation calculations in silicon and diamond
|
journal
|
May 1998 |
PARSEC – the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures
|
journal
|
April 2006 |
Benchmarking the Starting Points of the GW Approximation for Molecules
|
journal
|
December 2012 |
Vertex corrections in localized and extended systems
|
journal
|
October 2007 |
Threshold photoelectron study of naphthalene, anthracene, pyrene, 1,2-dihydronaphthalene, and 9,10-dihydroanthracene
|
journal
|
June 2011 |
Photoelectron spectra and electronic structures of some naphtho[1,2-d]thiazoles
|
journal
|
July 1993 |
Electron-electron interactions and the bandwidth of metals
|
journal
|
June 1989 |
Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green’s Functions Theory
|
journal
|
February 2012 |
Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons †
|
journal
|
October 2009 |
The electronic states of 1,2,5-thiadiazole studied by VUV absorption spectroscopy and ab initio configuration interaction methods
|
journal
|
June 2008 |
Self-consistent : All-electron implementation with localized basis functions
|
journal
|
August 2013 |
Self-Consistent Approximations in Many-Body Systems
|
journal
|
August 1962 |
Fully self-consistent self-energy of the electron gas
|
journal
|
January 1998 |
calculations using the spectral decomposition of the dielectric matrix: Verification, validation, and comparison of methods
|
journal
|
April 2013 |
Quantitative molecular orbital energies within a G0W0 approximation
|
journal
|
September 2012 |
First-principles calculations for DNA and RNA nucleobases
|
journal
|
March 2011 |
Enhanced static approximation to the electron self-energy operator for efficient calculation of quasiparticle energies
|
journal
|
November 2010 |
Photoelectron Spectrum and Electronic Structure of Tetrathiofulvalene (TTF)
|
journal
|
October 1974 |
Electron-hole excitations and optical spectra from first principles
|
journal
|
August 2000 |
Photoelectron properties of DNA and RNA bases from many-body perturbation theory
|
journal
|
August 2011 |
Self-consistent GW and higher-order calculations of electron states in metals
|
journal
|
September 1996 |
Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional
|
journal
|
August 2011 |
Inclusion of Vertex Corrections in the Self-Consistent Calculation of Quasiparticles in Metals
|
text
|
January 2001 |
GW 100: Benchmarking G0W0 for molecular systems
|
text
|
January 2015 |
Ground State Properties of Simple Elements from GW Calculations
|
text
|
January 2009 |
Fully selfconsistent GW calculations for molecules
|
text
|
January 2010 |
Quasiparticle and Optical Properties of Rutile and Anatase TiO$_{2}$
|
text
|
January 2010 |
Enhanced Static Approximation to the Electron Self-Energy Operator for Efficient Calculation of Quasiparticle Energies
|
text
|
January 2010 |
First-principles GW calculations for DNA and RNA nucleobases
|
text
|
January 2011 |
Photoelectron properties of DNA and RNA bases from many-body perturbation theory
|
text
|
January 2011 |
Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach
|
text
|
January 2011 |
Quantitative Molecular Orbital Energies within a $G_0W_0$ Approximation
|
text
|
January 2012 |
Coulomb-hole summations and energies for GW calculations with limited number of empty orbitals: a modified static remainder approach
|
text
|
January 2012 |
Predictive GW calculations using plane waves and pseudopotentials
|
text
|
January 2014 |
All-electron self-consistent GW approximation: Application to Si, MnO, and NiO
|
text
|
January 2003 |
Quasiparticle Self-Consistent GW Theory
|
text
|
January 2005 |
Optical excitations in organic molecules, clusters and defects studied by first-principles Green's function methods
|
text
|
January 2006 |
Vertex corrections in localized and extended systems
|
text
|
January 2007 |
Systematic vertex corrections through iterative solution of Hedin's equations beyond the GW approximation
|
text
|
January 1997 |