Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 2328 | 2015 |

Projected hartree–fock theory CA Jiménez-Hoyos, TM Henderson, T Tsuchimochi, GE Scuseria The Journal of chemical physics 136 (16), 164109, 2012 | 208 | 2012 |

What can density functional theory tell us about artificial catalytic water splitting? MG Mavros, T Tsuchimochi, T Kowalczyk, A McIsaac, LP Wang, ... Inorganic chemistry 53 (13), 6386-6397, 2014 | 118 | 2014 |

Strong correlations via constrained-pairing mean-field theory T Tsuchimochi, GE Scuseria The Journal of chemical physics 131 (12), 121102, 2009 | 94 | 2009 |

Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach T Kowalczyk, T Tsuchimochi, PT Chen, L Top, T Van Voorhis The Journal of chemical physics 138 (16), 164101, 2013 | 56 | 2013 |

Communication: ROHF theory made simple T Tsuchimochi, GE Scuseria The Journal of chemical physics 133 (14), 141102, 2010 | 55 | 2010 |

Bootstrap embedding: An internally consistent fragment-based method M Welborn, T Tsuchimochi, T Van Voorhis The Journal of chemical physics 145 (7), 074102, 2016 | 52 | 2016 |

Density matrix embedding in an antisymmetrized geminal power bath T Tsuchimochi, M Welborn, T Van Voorhis The Journal of chemical physics 143 (2), 024107, 2015 | 49 | 2015 |

Constrained-pairing mean-field theory. II. Exact treatment of dissociations to nondegenerate orbitals GE Scuseria, T Tsuchimochi The Journal of chemical physics 131 (16), 164119, 2009 | 42 | 2009 |

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 084801, 2021 | 40 | 2021 |

Constrained active space unrestricted mean-field methods for controlling spin-contamination T Tsuchimochi, GE Scuseria The Journal of chemical physics 134 (6), 064101, 2011 | 34 | 2011 |

Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures T Tsuchimochi, S Ten-no The Journal of chemical physics 144 (1), 011101, 2016 | 33 | 2016 |

Extended Møller-Plesset perturbation theory for dynamical and static correlations T Tsuchimochi, T Van Voorhis The Journal of chemical physics 141 (16), 164117, 2014 | 33 | 2014 |

Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities T Tsuchimochi, GE Scuseria, A Savin The Journal of chemical physics 132 (2), 024111, 2010 | 31 | 2010 |

Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems T Tsuchimochi The Journal of chemical physics 143 (14), 144114, 2015 | 30 | 2015 |

Black-Box Description of Electron Correlation with the Spin-Extended Configuration Interaction Model: Implementation and Assessment T Tsuchimochi, S Ten-no Journal of chemical theory and computation 12 (4), 1741-1759, 2016 | 29 | 2016 |

Application of the Sakurai‐Sugiura projection method to core‐excited‐state calculation by time‐dependent density functional theory T Tsuchimochi, M Kobayashi, A Nakata, Y Imamura, H Nakai Journal of computational chemistry 29 (14), 2311-2316, 2008 | 24 | 2008 |

Bridging single-and multireference domains for electron correlation: spin-extended coupled electron pair approximation T Tsuchimochi, S Ten-No Journal of chemical theory and computation 13 (4), 1667-1681, 2017 | 21 | 2017 |

Time-dependent projected Hartree-Fock T Tsuchimochi, T Van Voorhis The Journal of chemical physics 142 (12), 124103, 2015 | 21 | 2015 |

Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree–Fock theory T Tsuchimochi, TM Henderson, GE Scuseria, A Savin The Journal of chemical physics 133 (13), 134108, 2010 | 21 | 2010 |