Related references
Note: Only part of the references are listed.Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory
Daniel Neuhauser et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Deviations from piecewise linearity in the solid-state limit with approximate density functionals
Vojtech Vlcek et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Dynamics in many-body localized quantum systems without disorder
Mauro Schiulaz et al.
PHYSICAL REVIEW B (2015)
Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/GW approach
Max Pinheiro et al.
PHYSICAL REVIEW B (2015)
Organic Electronic Materials: Recent Advances in the DFT Description of the Ground and Excited States Using Tuned Range-Separated Hybrid Functionals
Thomas Koerzdoerfer et al.
ACCOUNTS OF CHEMICAL RESEARCH (2014)
Scenario for delocalization in translation-invariant systems
Wojciech De Roeck et al.
PHYSICAL REVIEW B (2014)
Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic GW Approach
Daniel Neuhauser et al.
PHYSICAL REVIEW LETTERS (2014)
Electronic structure of conducting organic polymers: insights from time-dependent density functional theory
Ulrike Salzner
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
How Do Disorder, Reorganization, and Localization Influence the Hole Mobility in Conjugated Copolymers?
Sebastian T. Hoffmann et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
A general relationship between disorder, aggregation and charge transport in conjugated polymers
Rodrigo Noriega et al.
NATURE MATERIALS (2013)
Exploring the competition between localization and delocalization of the neutral soliton defect in polyenyl chains with the orbital optimized second order opposite spin method
Westin Kurlancheek et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals
Leeor Kronik et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Curvature and Frontier Orbital Energies in Density Functional Theory
Tamar Stein et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes
Andrea Ferretti et al.
PHYSICAL REVIEW B (2012)
Long-range corrected hybrid functionals for π-conjugated systems: Dependence of the range-separation parameter on conjugation length
Thomas Koerzdoerfer et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Improved Prediction of Properties of π-Conjugated Oligomers with Range-Separated Hybrid Density Functionals
Ulrike Salzner et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Localization of Electronic Excitations in Conjugated Polymers Studied by DFT
Iffat H. Nayyar et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Tuned Range-Separated Hybrids in Density Functional Theory
Roi Baer et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 61 (2010)
Organic Semiconductors: Impact of Disorder at Different Timescales
David P. McMahon et al.
CHEMPHYSCHEM (2010)
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
M. Valiev et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
Modeling Photoelectron Spectra of Conjugated Oligomers with Time-Dependent Density Functional Theory
Ulrike Salzner
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
The Origin of Charge Localization Observed in Organic Photovoltaic Materials
James E. Johns et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Koopmans' springs to life
Ulrike Salzner et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory
Tamar Stein et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
A Density Functional Theory for Symmetric Radical Cations from Bonding to Dissociation
Ester Livshits et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Localization and delocalization errors in density functional theory and implications for band-gap prediction
Paula Mori-Sanchez et al.
PHYSICAL REVIEW LETTERS (2008)
Hole-vibronic coupling in oligothiophenes:: impact of backbone torsional. exibility on relaxation energies
Demetrio A. da Silva Filho et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2007)
A well-tempered density functional theory of electrons in molecules
Ester Livshits et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Self-consistent-field calculations using Chebyshev-filtered subspace iteration
Yunkai Zhou et al.
JOURNAL OF COMPUTATIONAL PHYSICS (2006)
Exact-exchange Kohn-Sham formalism applied to one-dimensional periodic electronic systems
Stefan Rohra et al.
PHYSICAL REVIEW B (2006)
Metal-insulator transition in a weakly interacting many-electron system with localized single-particle states
DM Basko et al.
ANNALS OF PHYSICS (2006)
Excitons in nanoscale systems
Gregory D. Scholes et al.
NATURE MATERIALS (2006)
The optical resonances in carbon nanotubes arise from excitons
F Wang et al.
SCIENCE (2005)
Density functional theory with correct long-range asymptotic behavior
R Baer et al.
PHYSICAL REVIEW LETTERS (2005)
Excitonic effects in 3D-polyacetylene
P Puschnig et al.
SYNTHETIC METALS (2003)
Electronic excitations: density-functional versus many-body Green's-function approaches
G Onida et al.
REVIEWS OF MODERN PHYSICS (2002)