Estimates of the ab initio limit for π− π interactions: The benzene dimer MO Sinnokrot, EF Valeev, CD Sherrill Journal of the American Chemical Society 124 (36), 10887-10893, 2002 | 1174 | 2002 |

Psi4: an open‐source *ab initio* electronic structure programJM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 556-565, 2012 | 592 | 2012 |

Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors EF Valeev, V Coropceanu, DA da Silva Filho, S Salman, JL Brédas Journal of the American Chemical Society 128 (30), 9882-9886, 2006 | 586 | 2006 |

HEAT: High accuracy extrapolated *ab initio* thermochemistryA Tajti, PG Szalay, AG Császár, M Kállay, J Gauss, EF Valeev, ... The Journal of chemical physics 121 (23), 11599-11613, 2004 | 571 | 2004 |

R12 methods in explicitly correlated molecular electronic structure theory W Klopper, FR Manby, S Ten-No, EF Valeev International Reviews in Physical Chemistry 25 (3), 427-468, 2006 | 406 | 2006 |

Improving on the resolution of the identity in linear R12 ab initio theories EF Valeev Chemical physics letters 395 (4-6), 190-195, 2004 | 343 | 2004 |

PSI3: An open‐source Ab Initio electronic structure package TD Crawford, CD Sherrill, EF Valeev, JT Fermann, RA King, ML Leininger, ... Journal of computational chemistry 28 (9), 1610-1616, 2007 | 293 | 2007 |

Explicitly correlated R12/F12 methods for electronic structure L Kong, FA Bischoff, EF Valeev Chemical reviews 112 (1), 75-107, 2011 | 292 | 2011 |

Anchoring the water dimer potential energy surface with explicitly correlated computations and focal point analyses GS Tschumper, ML Leininger, BC Hoffman, EF Valeev, HF Schaefer III, ... The Journal of chemical physics 116 (2), 690-701, 2002 | 255 | 2002 |

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 | 249 | 2017 |

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory C Riplinger, P Pinski, U Becker, EF Valeev, F Neese The Journal of chemical physics 144 (2), 024109, 2016 | 203 | 2016 |

Revisiting the atomic natural orbital approach for basis sets: Robust systematic basis sets for explicitly correlated and conventional correlated ab initio methods? F Neese, EF Valeev Journal of chemical theory and computation 7 (1), 33-43, 2010 | 135 | 2010 |

Analysis of the errors in explicitly correlated electronic structure theory AJ May, E Valeev, R Polly, FR Manby Physical Chemistry Chemical Physics 7 (14), 2710-2713, 2005 | 134 | 2005 |

Wiley Interdiscip JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ... Rev.: Comput. Mol. Sci 2 (4), 556-565, 2012 | 131 | 2012 |

The diagonal Born–Oppenheimer correction beyond the Hartree–Fock approximation EF Valeev, CD Sherrill The Journal of chemical physics 118 (9), 3921-3927, 2003 | 129 | 2003 |

The protonated water dimer: Brueckner methods remove the spurious symmetry minimum EF Valeev, HF Schaefer III The Journal of chemical physics 108 (17), 7197-7201, 1998 | 117 | 1998 |

CVRQD *ab initio* ground-state adiabatic potential energy surfaces for the water moleculeP Barletta, SV Shirin, NF Zobov, OL Polyansky, J Tennyson, EF Valeev, ... The Journal of chemical physics 125 (20), 204307, 2006 | 113 | 2006 |

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate … P Pinski, C Riplinger, EF Valeev, F Neese The Journal of chemical physics 143 (3), 034108, 2015 | 106 | 2015 |

Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The model EF Valeev, T Daniel Crawford The Journal of chemical physics 128 (24), 244113, 2008 | 100 | 2008 |

Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations T Shiozaki, M Kamiya, S Hirata, EF Valeev The Journal of chemical physics 129 (7), 071101, 2008 | 96 | 2008 |