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Resumé
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John Sears
Group Position: Graduate Student
Currently: Postdoc, Bredas Group, Georgia Tech
Office: MS Phone: 404-894-7691
Mailing Address: Fax: 404-894-7452
School of Chemistry and Biochemistry     E-mail: john.sears@chemistry.gatech.edu
Georgia Institute of Technology   Personal Page: Link
Atlanta, GA 30332-0400  
 
Educational Background
  • BS Chemistry and Mathematics, The University of the South
  • Ph.D. Chemistry, Georgia Tech
PhD. Thesis

     Minimalist Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis

 
Representative Publications

``Orbital Instabilities and Triplet States From Time-Dependent Density Functional Theory and Long-Range Corrected Functionals,'' J. S. Sears, T. Koerzdoerfer, C. R. Zhang, and J. L. Brédas, J. Chem. Phys. 135, 151103 (2011) (doi: 10.1063/1.3656734)

``Long-range Corrected Hybrid Functionals for Pi-conjugated Systems: Dependence of the Range-separation Parameter On Conjugation Length,'' T. Koerzdoerfer, J. S. Sears, C. Sutton, and J. Bredas, J. Chem. Phys. 135, 204107 (2011) (doi: 10.1063/1.3663856)

``Accurate Description of Torsion Potentials in Conjugated Polymers Using Density Functionals with Reduced Self-Interaction Error,'' C. Sutton, T. Körzdörfer, M. T. Gray, M. Runsfeld, R. M. Parrish, C. D. Sherrill, J. S. Sears, and J. L. Brédas, J. Chem. Phys. 140, 054310 (2014) (doi: 10.1063/1.4863218)

``Assessment of the Performance of Tuned Range-Separated Hybrid Density Functionals in Predicting Accurate Quasiparticle Spectra,'' T. Körzdörfer, R. M. Parrish, N. Marom, J. S. Sears, C. D. Sherrill, and J. L. Brédas, Phys. Rev. B 86, 205110 (2012) (doi: 10.1103/PhysRevB.86.205110)

``On the Relationship Between Bond-Length Alternation and Many-Electron Self-Interaction Error,'' T. Körzdörfer, R. M. Parrish, J. S. Sears, C. D. Sherrill, and J. L. Brédas, J. Chem. Phys. 137, 124305 (2012) (doi: 10.1063/1.4752431)

``An Error and Efficiency Analysis of Approximations to Møller-Plesset Perturbation Theory,'' M. S. Marshall, J. S. Sears, L. A. Burns, J. L. Brédas, and C. D. Sherrill, J. Chem. Theory Comput. 6, 3681-3687 (2010) (doi: 10.1021/ct100468f)

``Assessing the Performance of Density Functional Theory For the Electronic Structure of Metal-Salens: The M06 Suite of Functionals And the D4-Metals,'' T. Takatani, J. S. Sears, and C. D. Sherrill, J. Phys. Chem. A 114, 11714-11718 (2010) (doi: 10.1021/jp1046084)

``Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal-Salens: The D6-Metals,'' T. Takatani, J. S. Sears, and C. D. Sherrill, J. Phys. Chem. A 113, 9231-9236 (2009) (doi: 10.1021/jp903865t)

``Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal-Salens: The D2-Metals,'' J. S. Sears and C. D. Sherrill, J. Phys. Chem. A 112, 6741-6752 (2008) (doi: 10.1021/jp802249n)

``Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal-Salens: The 3d0-Metals,'' J. S. Sears and C. D. Sherrill, J. Phys. Chem. A 112, 3466-3477 (2008) (doi: 10.1021/jp711595w)

``The Electronic Structure of Oxo-Mn(salen): Single- And Multireference Approaches,'' J. S. Sears and C. D. Sherrill, J. Chem. Phys. 124, 144314 (2006) (doi: 10.1063/1.2187974)

``Investigations Into the Stability of Tethered PdII Pincer Complexes During Heck Catalysis,'' W. J. Sommer, K. Yu, J. S. Sears, Y. Ji, X. Zheng, R. J. Davis, C. D. Sherrill, C. W. Jones, and M. Weck, Organomet. 24, 4351-4361 (2005) (doi: 10.1021/om048992v)

``On the Choice of Reference in Multi-reference Electronic Structure Theory Minimal References for Bond Breaking,'' J. S. Sears and C. D. Sherrill, Mol. Phys. 103, 803-814 (2005) (doi: 10.1080/00268970412331333023)

``A Spin-Complete Version of the Spin-Flip Approach to Bond Breaking: What Is the Impact of Obtaining Spin Eigenfunctions?,'' J. S. Sears, C. D. Sherrill, and A. I. Krylov, J. Chem. Phys. 118, 9084-9094 (2003) (doi: 10.1063/1.1568735)


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Georgia Institute of Technology
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