# Optimal 1st-principles tuning

Communication: Tailoring the optical gap in light-harvesting molecules. J. Chem. Phys. 2011, 134, 151101.Abstract karolewski2011.pdf

Fundamental gaps in finite systems from eigenvalues of a generalized Kohn-Sham method. Phys. Rev. Lett. 2010, 105, 266802.Abstract stein2010.pdf

Tuned Range-separated hybrids in density functional theory. Annu. Rev. Phys. Chem. 2010, 61, 85–109. Publisher's VersionAbstract baer2010a.pdf

Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles. J. Chem. Phys. 2009, 131, 244119–5.Abstract stein2009.pdf

Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory. J. Am. Chem. Soc. 2009, 131, 2818–2820.Abstract stein2009a.pdf

Deleterious Effects of Long-Range Self-Repulsion on the Density Functional Description of O-2 Sticking on Aluminum. J. Phys. Chem. A 2009, 113, 7521–7527. Publisher's VersionAbstract livshits2009.pdf

A new generalized Kohn-Sham method for fundamental band-gaps in solids. Phys. Chem. Chem. Phys. 2009, 11, 4674–4680. Publisher's VersionAbstract eisenberg2009.pdf

Performance of DFT Methods in the Calculation of Optical Spectra of TCF-Chromophores. J. Chem. Theory Comput. 2009, 5 2835–2846.Abstract andzelm2009.pdf

A Density Functional Theory for Symmetric Radical Cations from Bonding to Dissociation. J. Phys. Chem. A 2008, 112, 12789–12791. Publisher's VersionAbstract livshits2008.pdf

A well-tempered density functional theory of electrons in molecules. Phys. Chem. Chem. Phys. 2007, 9 2932–2941. Publisher's VersionAbstract livshits2007.pdf

A density functional theory with correct long-range asymptotic behavior. Phys. Rev. Lett. 2005, 94, 043002.Abstract baer2005a.pdf