John S Sears

Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ) as a Model Case.

Jean-Luc Brédas, Gjergji Sini, John S Sears, 2011, Journal of chemical theory and computation.

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

Jean-Luc Brédas, John S Sears, Christopher Sutton, 2011, The Journal of chemical physics.

Accurate description of torsion potentials in conjugated polymers using density functionals with reduced self-interaction error.

Robert M Parrish, C David Sherrill, Jean-Luc Brédas, 2014, The Journal of chemical physics.

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

Robert M Parrish, C David Sherrill, Jean-Luc Brédas, 2012, The Journal of chemical physics.

Understanding the Density Functional Dependence of DFT-Calculated Electronic Couplings in Organic Semiconductors.

Jean-Luc Brédas, John S Sears, Veaceslav Coropceanu, 2013, The journal of physical chemistry letters.