John S. Sears

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

Thomas Körzdörfer, John S. Sears, Christopher Sutton et al. · The Journal of Chemical Physics · 2011 · 266 citations · Full text

Engineering, Computational Chemistry, Chemistry +18

Effects of electronegative substitution on the optical and electronic properties of acenes and diazaacenes

Anthony L. Appleton, Scott M. Brombosz, Stephen Barlow et al. · Nature Communications · 2010 · 209 citations · Full text

Organic Charge-transfer Compound, Optical Materials, Engineering +14

A spin-complete version of the spin-flip approach to bond breaking: What is the impact of obtaining spin eigenfunctions?

John S. Sears, C. David Sherrill, Anna I. Krylov · The Journal of Chemical Physics · 2003 · 162 citations · Full text

Engineering, Many-body Quantum Physic, Spin-flip Approach +18

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

Gjergji Sini, John S. Sears, Jean‐Luc Brédas · Journal of Chemical Theory and Computation · 2011 · 156 citations

Engineering, Charge Transfer, Excitation Energy Transfer +16

Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals

John S. Sears, Thomas Koerzdoerfer, Cai‐Rong Zhang et al. · The Journal of Chemical Physics · 2011 · 147 citations · Full text

Quantum Dynamic, Localized Excited State, Engineering +19