Related references
Note: Only part of the references are listed.Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional
Iulia Emilia Brumboiu et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Accurate Electron Affinities and Orbital Energies of Anions from a Nonempirically Tuned Range-Separated Density Functional Theory Approach
Lindsey N. Anderson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Can Kohn-Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?
Pragya Verma et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Nonempirically tuning range-separated functionals for dipole polarizabilities of nanostructures containing hydrogen bonds
Mojtaba Alipour et al.
THEORETICAL CHEMISTRY ACCOUNTS (2017)
Shedding Light on the Accuracy of Optimally Tuned Range-Separated Approximations for Evaluating Oxidation Potentials
Mojtaba Alipour et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
First principles optimally tuned range-separated density functional theory for prediction of phosphorus-hydrogen spin-spin coupling constants
Mojtaba Alipour et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting Systems
Olga S. Bokareva et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick Pairs
Alexandra E. Raeber et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory
Sivan Refaely-Abramson et al.
PHYSICAL REVIEW B (2015)
Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional
David A. Egger et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Benchmarking Quantum Chemical Methods for the Calculation of Molecular Dipole Moments and Polarizabilities
A. Leif Hickey et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Simultaneous Determination of Structures, Vibrations, and Frontier Orbital Energies from a Self-Consistent Range-Separated Hybrid Functional
Isaac Tamblyn et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Experimental and theoretical electronic structure of quinacridone
Daniel Lueftner et al.
PHYSICAL REVIEW B (2014)
Using optimally tuned range separated hybrid functionals in ground-state calculations: Consequences and caveats
Andreas Karolewski et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Gap renormalization of molecular crystals from density-functional theory
Sivan Refaely-Abramson et al.
PHYSICAL REVIEW B (2013)
Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals
Leeor Kronik et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases
Aleksandr V. Marenich et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Does a Molecule-Specific Density Functional Give an Accurate Electron Density? The Challenging Case of the CuCl Electric Field Gradient
Monika Srebro et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Screened-exchange density functionals with broad accuracy for chemistry and solid-state physics
Roberto Peverati et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Generalized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance
Roberto Peverati et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation
Roberto Peverati et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional
Sivan Refaely-Abramson et al.
PHYSICAL REVIEW B (2011)
Can short-range hybrids describe long-range-dependent properties?
Thomas M. Henderson et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles
Tamar Stein et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Thermochemical Kinetics for Multireference Systems: Addition Reactions of Ozone
Yan Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (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)
Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory
Bryan M. Wong et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Range-separation by the Yukawa potential in long-range corrected density functional theory with Gaussian-type basis functions
Yoshinobu Akinaga et al.
CHEMICAL PHYSICS LETTERS (2008)
Coumarin dyes for dye-sensitized solar cells: A long-range-corrected density functional study
Bryan M. Wong et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory
Mary A. Rohrdanz et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Long-range corrected density functional calculations of chemical reactions: Redetermination of parameter
Jong-Won Song et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Performance of density functionals for first row transition metal systems
Kasper P. Jensen et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Influence of the exchange screening parameter on the performance of screened hybrid functionals
Aliaksandr V. Krukau et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Density functional for spectroscopy: No long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground states
Yan Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals
Oleg A. Vydrov et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Density functionals for inorganometallic and organometallic chemistry
NE Schultz et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method
M Kamiya et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method
Muneaki Kamiya et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Density functional theory with correct long-range asymptotic behavior
R Baer et al.
PHYSICAL REVIEW LETTERS (2005)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
A long-range-corrected time-dependent density functional theory
Y Tawada et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
VN Staroverov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
Hybrid functionals based on a screened Coulomb potential
J Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
A long-range correction scheme for generalized-gradient-approximation exchange functionals
H Iikura et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Share Paper
