Publications
At OU
1. V.T. Casetti, J. MacLean, A.D. Ayoub, R.J. Fredericks, J.A. Adamski, and A.A. Rusakov. Investigating the heaviest halogen: Lessons learned from modeling the electronic structure of astatine's small molecules. Journal of Physical Chemistry A (2022).
1. V.T. Casetti, J. MacLean, A.D. Ayoub, R.J. Fredericks, J.A. Adamski, and A.A. Rusakov. Investigating the heaviest halogen: Lessons learned from modeling the electronic structure of astatine's small molecules. Journal of Physical Chemistry A (2022).
2. A.A. Rusakov. Comment on "Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism of Au3." Journal of Physical Chemistry A (2023).
3. K.J.R. Espinosa, A.A. Kananenka, A.A. Rusakov. Novel Computational Infrastructure for Simulating Astatide in Water: from Basis Sets to Force Fields Using Particle Swarm Optimization. Journal of Chemical Theory and Computation (2023).
Prior to OU
S. Iskakov, A.A. Rusakov, E. Gull, and D. Zgid. Effect of propagator renormalization on the band gap of solids. Physical Review B 100, 085112 (2019).
A.A. Rusakov, S. Iskakov, T.N. Lan, and D. Zgid. Self-energy embedding theory (SEET) for periodic systems, ACS Editors' Choice article. The Journal of Chemical Theory and Computation 15, 229 (2019).
E. Gull, S. Iskakov, I. Krivenko, A.A. Rusakov, and D. Zgid. Chebyshev polynomial representation of imaginary-time response functions. Physical Review B 98, 075127 (2018).
A.R. Welden, A.A. Rusakov, and D. Zgid. Exploring connections between statistical mechanics and Green’s functions for realistic systems: Temperature-dependent electronic entropy and internal energy from a self-consistent second-order Green’s function. The Journal of Chemical Physics 145, 204106 (2017).
A.A. Rusakov, and D. Zgid. Self-consistent second-order Green’s function perturbation theory for periodic systems. The Journal of Chemical Physics 144, 054106 (2016).
A.A. Rusakov, J.J. Phillips, and D. Zgid. Local Hamiltonians for quantitative Green's function embedding methods. The Journal of Chemical Physics 141, 194105 (2014).
A.A. Rusakov, M.J. Frisch, and G.E. Scuseria. Space group symmetry applied to SCF calculations with periodic boundary conditions and Gaussian orbitals. The Journal of Chemical Physics 139, 114110 (2013).
A.A. Rusakov, Yu.A. Demidov, and A.V. Zaitsevskii. Estimating the adsorption energy of element 113 on a gold surface. Central European Journal of Physics 11, 1537 (2013).
A.V. Zaitsevskii, A.V. Titov, A.A. Rusakov, and C. van Wüllen. Ab initio study of element 113–gold interactions. Chemical Physics Letters 508, 329 (2011).
A.A. Rusakov and A.V. Zaitsevskii. On excited states of the Au3 cluster: an ab initio study. Central European Journal of Physics, 6, 771 (2008).
E.N. Brothers, A.F. Izmaylov, A.A. Rusakov, and G.E. Scuseria. On calculating a polymer's enthalpy of formation with quantum chemical methods. The Journal of Physical Chemistry B 111, 12869 (2007).
A.A. Rusakov, E.A. Rykova, G.E. Scuseria, and A.V. Zaitsevskii. Importance of spin-orbit effects on the isomerism profile of Au3: an ab initio study. The Journal of Chemical Physics 111, 164322 (2007).