Self-consistent second-order Green’s function perturbation theory for periodic systems AA Rusakov, D Zgid The Journal of chemical physics 144 (5), 2016 | 103 | 2016 |

Self-energy embedding theory (SEET) for periodic systems AA Rusakov, S Iskakov, LN Tran, D Zgid Journal of chemical theory and computation 15 (1), 229-240, 2018 | 78 | 2018 |

Exploring connections between statistical mechanics and Green’s functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self … AR Welden, AA Rusakov, D Zgid The Journal of chemical physics 145 (20), 2016 | 59 | 2016 |

Chebyshev polynomial representation of imaginary-time response functions E Gull, S Iskakov, I Krivenko, AA Rusakov, D Zgid Physical Review B 98 (7), 075127, 2018 | 53 | 2018 |

Local Hamiltonians for quantitative Green's function embedding methods AA Rusakov, JJ Phillips, D Zgid The Journal of chemical physics 141 (19), 2014 | 45 | 2014 |

Importance of spin-orbit effects on the isomerism profile of Au3: An ab initio study AA Rusakov, E Rykova, GE Scuseria, A Zaitsevskii The Journal of chemical physics 127 (16), 2007 | 38 | 2007 |

Effect of propagator renormalization on the band gap of insulating solids S Iskakov, AA Rusakov, D Zgid, E Gull Physical Review B 100 (8), 085112, 2019 | 31 | 2019 |

Ab initio study of element 113–gold interactions A Zaitsevskii, AV Titov, AA Rusakov, C van Wüllen Chemical Physics Letters 508 (4-6), 329-331, 2011 | 29 | 2011 |

Estimating the adsorption energy of element 113 on a gold surface AA Rusakov, YA Demidov, A Zaitsevskii Central European Journal of Physics 11, 1537-1540, 2013 | 26 | 2013 |

Gaussian 09 (Revision C. 3) MJ Fritsch, G Trucks, J Cheeseman, G Scalmani, F Clemente, H Hratchian, ... Pittsburgh, PA, 2009 | 12 | 2009 |

On calculating a polymer's enthalpy of formation with quantum chemical methods EN Brothers, AF Izmaylov, AA Rusakov, GE Scuseria The Journal of Physical Chemistry B 111 (50), 13869-13872, 2007 | 9 | 2007 |

Space group symmetry applied to SCF calculations with periodic boundary conditions and Gaussian orbitals AA Rusakov, MJ Frisch, GE Scuseria The Journal of Chemical Physics 139 (11), 2013 | 7 | 2013 |

Investigating the Heaviest Halogen: Lessons Learned from Modeling the Electronic Structure of Astatine’s Small Molecules VT Casetti, J MacLean, AD Ayoub, RJ Fredericks, JA Adamski, ... The Journal of Physical Chemistry A 127 (1), 46-56, 2022 | 6 | 2022 |

On excited states of the Au3 cluster: an ab initio study A Rusakov, A Zaitsevskii Central European Journal of Physics 6 (4), 771-774, 2008 | 6 | 2008 |

Novel Computational Chemistry Infrastructure for Simulating Astatide in Water: From Basis Sets to Force Fields Using Particle Swarm Optimization KJ Rueda Espinosa, AA Kananenka, AA Rusakov Journal of Chemical Theory and Computation 19 (22), 7998-8012, 2023 | 5 | 2023 |

Uncovering Chemical Homology of Superheavy Elements: A Close Look at Astatine Y Demidov, A Shalaevsky, A Oleynichenko, A Rusakov | | 2024 |

Comment on “Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au_{3}”AA Rusakov The Journal of Physical Chemistry A 127 (36), 7673-7675, 2023 | | 2023 |

Investigating the Heaviest Halogen: Lessons Learned from Modeling the Electronic Structure of Astatine's Small Molecules A Rusakov, V Casetti, J MacLean, A Ayoub, R Fredericks, J Adamski | | 2022 |

Self-energy embedding theory (SEET) for molecules and solids D Zgid, T Lan, S Iskakov, A Rusakov, A Shee ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |

First principles study of correlation effects in solids S Iskakov, A Rusakov, E Gull, D Zgid APS March Meeting Abstracts 2019, H19. 004, 2019 | | 2019 |