Self-consistent second-order Green’s function perturbation theory for periodic systems AA Rusakov, D Zgid The Journal of chemical physics 144 (5), 2016 | 105 | 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 | 83 | 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 | 61 | 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 | 56 | 2018 |
Local Hamiltonians for quantitative Green's function embedding methods AA Rusakov, JJ Phillips, D Zgid The Journal of chemical physics 141 (19), 2014 | 46 | 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 | 34 | 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 | 27 | 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 | 8 | 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 | 7 | 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 |
Second-order Green's function perturbation theory for periodic systems AA Rusakov, D Zgid arXiv preprint arXiv:1511.03911, 2015 | 1 | 2015 |
Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores EBA Adusei, VT Casetti, CD Goldsmith, M Caswell, D Alinj, J Park, ... RSC advances 14 (35), 25120-25129, 2024 | | 2024 |
Uncovering chemical homology of superheavy elements: a close look at astatine YA Demidov, AA Shalaevsky, AV Oleynichenko, AA Rusakov Physical Chemistry Chemical Physics 26 (36), 23823-23834, 2024 | | 2024 |
Comment on “Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au3” 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 |