Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ... Journal of chemical theory and computation 13 (7), 3185-3197, 2017 | 587 | 2017 |

Self‐Assembled Large Au Nanoparticle Arrays with Regular Hot Spots for SERS A Chen, AE DePrince III, A Demortière, A Joshi‐Imre, EV Shevchenko, ... Small 7 (16), 2365-2371, 2011 | 109 | 2011 |

Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a *t*_{1}-Transformed HamiltonianAE DePrince III, CD Sherrill Journal of chemical theory and computation 9 (6), 2687-2696, 2013 | 96 | 2013 |

Large-scale variational two-electron reduced-density-matrix-driven complete active space self-consistent field methods J Fosso-Tande, TS Nguyen, G Gidofalvi, AE DePrince III Journal of chemical theory and computation 12 (5), 2260-2271, 2016 | 84 | 2016 |

Coupled cluster theory on graphics processing units I. The coupled cluster doubles method AE DePrince III, JR Hammond Journal of chemical theory and computation 7 (5), 1287-1295, 2011 | 81 | 2011 |

Emergence of californium as the second transitional element in the actinide series SK Cary, M Vasiliu, RE Baumbach, JT Stritzinger, TD Green, ... Nature communications 6 (1), 1-8, 2015 | 78 | 2015 |

Solvent-mediated end-to-end assembly of gold nanorods Y Wang, AE DePrince III, SK Gray, XM Lin, M Pelton The journal of physical chemistry letters 1 (18), 2692-2698, 2010 | 68 | 2010 |

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development DGA Smith, LA Burns, DA Sirianni, DR Nascimento, A Kumar, AM James, ... Journal of chemical theory and computation 14 (7), 3504-3511, 2018 | 54 | 2018 |

Communication: Resolving the three-body contribution to the lattice energy of crystalline benzene: Benchmark results from coupled-cluster theory MR Kennedy, AR McDonald, AE DePrince III, MS Marshall, R Podeszwa, ... The Journal of chemical physics 140 (12), 121104, 2014 | 54 | 2014 |

Parametric approach to variational two-electron reduced-density-matrix theory AE DePrince III, DA Mazziotti Physical Review A 76 (4), 042501, 2007 | 50 | 2007 |

Simulation of near-edge X-ray absorption fine structure with time-dependent equation-of-motion coupled-cluster theory DR Nascimento, AE DePrince III The Journal of Physical Chemistry Letters 8 (13), 2951-2957, 2017 | 48 | 2017 |

Accurate noncovalent interaction energies using truncated basis sets based on frozen natural orbitals AE DePrince III, CD Sherrill Journal of chemical theory and computation 9 (1), 293-299, 2013 | 48 | 2013 |

Linear absorption spectra from explicitly time-dependent equation-of-motion coupled-cluster theory DR Nascimento, AE DePrince III Journal of chemical theory and computation 12 (12), 5834-5840, 2016 | 43 | 2016 |

Cumulant reconstruction of the three-electron reduced density matrix in the anti-Hermitian contracted Schrödinger equation AE DePrince III, DA Mazziotti The Journal of chemical physics 127 (10), 104104, 2007 | 42 | 2007 |

Density-fitted singles and doubles coupled cluster on graphics processing units AE DePrince III, MR Kennedy, BG Sumpter, CD Sherrill Molecular Physics 112 (5-6), 844-852, 2014 | 40 | 2014 |

Parametric two-electron reduced-density-matrix method applied to computing molecular energies and properties at nonequilibrium geometries AE DePrince III, E Kamarchik, DA Mazziotti The Journal of chemical physics 128 (23), 234103, 2008 | 36 | 2008 |

Molecular Geometries and Harmonic Frequencies from the Parametric Two-Electron Reduced Density Matrix Method with Application to the HCN↔ HNC Isomerization AE Deprince Iii, DA Mazziotti The Journal of Physical Chemistry B 112 (50), 16158-16162, 2008 | 32 | 2008 |

Emergence of excited-state plasmon modes in linear hydrogen chains from time-dependent quantum mechanical methods AE DePrince III, M Pelton, JR Guest, SK Gray Physical review letters 107 (19), 196806, 2011 | 31 | 2011 |

Testing the parametric two-electron reduced-density-matrix method with improved functionals: Application to the conversion of hydrogen peroxide to oxywater CA Schwerdtfeger, AE DePrince III, DA Mazziotti The Journal of chemical physics 134 (17), 174102, 2011 | 27 | 2011 |

Accuracy of two-particle N-representability conditions for describing different spin states and the singlet–triplet gap in the linear acene series J Fosso-Tande, DR Nascimento, AE DePrince III Molecular Physics 114 (3-4), 423-430, 2016 | 23 | 2016 |