John A. Parkhill, Ph.D. - Publications

Chemistry University of Notre Dame, Notre Dame, IN, United States 
Quantum Chemistry

17 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Nguyen TS, Parkhill J. Nonadiabatic Dynamics for Electrons at Second-Order: Real-Time TDDFT and OSCF2. Journal of Chemical Theory and Computation. 11: 2918-2924. PMID 26575729 DOI: 10.1021/acs.jctc.5b00262  1
2013 Babbush R, Parkhill JA, Aspuru-Guzik A. Response to Commentary on "Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions". Frontiers in Chemistry. 1: 33. PMID 24790961 DOI: 10.3389/fchem.2013.00033  1
2013 McClean JR, Parkhill JA, Aspuru-Guzik A. Feynman's clock, a new variational principle, and parallel-in-time quantum dynamics. Proceedings of the National Academy of Sciences of the United States of America. 110: E3901-9. PMID 24062428 DOI: 10.1073/pnas.1308069110  1
2012 Parkhill JA, Markovich T, Tempel DG, Aspuru-Guzik A. A correlated-polaron electronic propagator: open electronic dynamics beyond the Born-Oppenheimer approximation. The Journal of Chemical Physics. 137: 22A547. PMID 23249084 DOI: 10.1063/1.4762441  1
2012 Parkhill JA, Tempel DG, Aspuru-Guzik A. Exciton coherence lifetimes from electronic structure. The Journal of Chemical Physics. 136: 104510. PMID 22423851 DOI: 10.1063/1.3689858  1
2012 Aggarwal RL, Farrar LW, Parkhill J, Aspuru-Guzik A, Polla DL. Measurement of the third-order nonlinear optical susceptibility χ(3) for the 1002-cm-1 mode of benzenethiol using coherent anti-Stokes Raman scattering with continuous-wave diode lasers Journal of Raman Spectroscopy. 43: 911-916. DOI: 10.1002/jrs.3102  1
2011 Mardirossian N, Parkhill JA, Head-Gordon M. Benchmark results for empirical post-GGA functionals: difficult exchange problems and independent tests. Physical Chemistry Chemical Physics : Pccp. 13: 19325-37. PMID 21956624 DOI: 10.1039/c1cp21635j  1
2011 Parkhill JA, Azar J, Head-Gordon M. The formulation and performance of a perturbative correction to the perfect quadruples model. The Journal of Chemical Physics. 134: 154112. PMID 21513380 DOI: 10.1063/1.3582729  1
2011 Parkhill JA, Rappoport D, Aspuru-Guzik A. Modeling coherent anti-stokes raman scattering with time-dependent density functional theory: Vacuum and surface enhancement Journal of Physical Chemistry Letters. 2: 1849-1854. DOI: 10.1021/jz2005573  1
2010 Parkhill JA, Head-Gordon M. A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: the singles+doubles models. The Journal of Chemical Physics. 133: 124102. PMID 20886919 DOI: 10.1063/1.3483556  1
2010 Parkhill JA, Head-Gordon M. A tractable and accurate electronic structure method for static correlations: the perfect hextuples model. The Journal of Chemical Physics. 133: 024103. PMID 20632744 DOI: 10.1063/1.3456001  1
2010 Parkhill JA, Head-Gordon M. A sparse framework for the derivation and implementation of fermion algebra Molecular Physics. 108: 513-522. DOI: 10.1080/00268971003662896  1
2009 Lawler KV, Parkhill JA, Head-Gordon M. The numerical condition of electron correlation theories when only active pairs of electrons are spin-unrestricted. The Journal of Chemical Physics. 130: 184113. PMID 19449914 DOI: 10.1063/1.3134223  1
2009 Parkhill JA, Lawler K, Head-Gordon M. The perfect quadruples model for electron correlation in a valence active space. The Journal of Chemical Physics. 130: 084101. PMID 19256591 DOI: 10.1063/1.3086027  1
2009 Parkhill JA, Chai JD, Dutoi AD, Head-Gordon M. The exchange energy of a uniform electron gas experiencing a new, flexible range separation Chemical Physics Letters. 478: 283-286. DOI: 10.1016/j.cplett.2009.07.052  1
2008 Mattioda AL, Rutter L, Parkhill J, Head-Gordon M, Lee TJ, Allamandola LJ. Near-infrared spectroscopy of nitrogenated polycyclic aromatic hydrocarbon cations from 0.7 to 2.5 μm Astrophysical Journal. 680: 1243-1255. DOI: 10.1086/529484  1
2008 Lawler KV, Parkhill JA, Head-Gordon M. Penalty functions for combining coupled-cluster and perturbation amplitudes in local correlation methods with optimized orbitals Molecular Physics. 106: 2309-2324. DOI: 10.1080/00268970802443482  1
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