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(2016) Chih-Wei Wang et al.   JOURNAL OF CHEMICAL PHYSICS

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(2016) Yifan Jin et al.   JOURNAL OF CHEMICAL PHYSICS

Ionization potential optimized double-hybrid density functional approximations

(2016) Johannes T. Margraf et al.   JOURNAL OF CHEMICAL PHYSICS

Improved DFT Potential Energy Surfaces via Improved Densities

(2015) Min-Cheol Kim et al.   Journal of Physical Chemistry Letters

A self-interaction-free local hybrid functional: Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues

(2014) Tobias Schmidt et al.   JOURNAL OF CHEMICAL PHYSICS

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(2014) Prakash Verma et al.   JOURNAL OF CHEMICAL PHYSICS

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(2014) R. Peverati et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

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(2014) Tim Gould et al.   PHYSICAL REVIEW A

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(2013) Duminda S. Ranasinghe et al.   JOURNAL OF CHEMICAL PHYSICS

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(2013) Stephan N. Steinmann et al.   JOURNAL OF CHEMICAL PHYSICS

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(2013) Yutaka Imamura et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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(2013) E. J. Baerends et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the relationship between bond-length alternation and many-electron self-interaction error

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Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond

(2012) Prakash Verma et al.   JOURNAL OF CHEMICAL PHYSICS

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(2012) Leeor Kronik et al.   Journal of Chemical Theory and Computation

Does a Molecule-Specific Density Functional Give an Accurate Electron Density? The Challenging Case of the CuCl Electric Field Gradient

(2012) Monika Srebro et al.   Journal of Physical Chemistry Letters

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(2012) D. Hofmann et al.   PHYSICAL REVIEW A

Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional

(2012) Sivan Refaely-Abramson et al.   PHYSICAL REVIEW LETTERS

Increasing the applicability of DFT I: Non-variational correlation corrections from Hartree–Fock DFT for predicting transition states

(2011) Prakash Verma et al.   CHEMICAL PHYSICS LETTERS

Challenges for Density Functional Theory

(2011) Aron J. Cohen et al.   CHEMICAL REVIEWS

Linearity condition for orbital energies in density functional theory: Construction of orbital-specific hybrid functional

(2011) Yutaka Imamura et al.   JOURNAL OF CHEMICAL PHYSICS

Long-range corrected hybrid functionals for π-conjugated systems: Dependence of the range-separation parameter on conjugation length

(2011) Thomas Körzdörfer et al.   JOURNAL OF CHEMICAL PHYSICS

Hole Localization in Molecular Crystals from Hybrid Density Functional Theory

(2011) Na Sai et al.   PHYSICAL REVIEW LETTERS

Tuned Range-Separated Hybrids in Density Functional Theory

(2010) Roi Baer et al.   Annual Review of Physical Chemistry

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(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

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(2010) Robin Haunschild et al.   JOURNAL OF CHEMICAL PHYSICS

Many-electron self-interaction and spin polarization errors in local hybrid density functionals

(2010) Robin Haunschild et al.   JOURNAL OF CHEMICAL PHYSICS

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(2010) Tamar Stein et al.   PHYSICAL REVIEW LETTERS

Towards an exact correlated orbital theory for electrons

(2009) Rodney J. Bartlett   CHEMICAL PHYSICS LETTERS

Second-Order Perturbation Theory with Fractional Charges and Fractional Spins

(2009) Aron J. Cohen et al.   Journal of Chemical Theory and Computation

Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization

(2008) Benjamin G. Janesko et al.   JOURNAL OF CHEMICAL PHYSICS

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(2008) Aron J. Cohen et al.   PHYSICAL REVIEW B

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE