| 1.
A. F. Izmailov, M. V. Kiselev, A. V. Vakurov, A. K. Gladilin, and
A. V. Levashov alpha-Chymotripsin Immobilized on Ferromagnetic Particles Coated with Titanium Oxide: Production and Catalytic Characterization, Applied Biochemistry and Microbiology, 36, 58 (2000) |
| 2. A. Izmailov and A.
Zaitsevskii Multireference Many-Body Perturbation Theory Calculations on Negative Ions with Small Electron Detachment Energies, Int. J. Quantum Chem., 96, 202 (2004) [Key words: multireference perturbation theory; correlation methods; perturb-then-diagonalize; water dimer anion; Ca, Sr, and Ba atomic anions; Preprint: PDF] |
| 3.
A. F. Izmaylov, S. O. Adamson, and A.
Zaitsevskii Multipartitioning Many-Body Perturbation Theory Calculations on Temporary Anions: Applications to N$_{2}^{-}$ and CO$^{-}$,J. Phys. B: At. Mol. Opt. Phys., 37, 2321 (2004) [Key words: multireference perturbation theory; correlation methods; resonances; perturb-then-diagonalize; nitrogen anion; carbon monoxide anion; vertical positions and widths of resonances; stabilization graphs; Preprint: PDF] |
| 4.
A. F. Izmaylov, L. N. Shchegoleva, G. E. Scuseria, and A.
Zaitsevskii Ab initio study of temporary anions of benzene and fluorobenzenes using the multipartitioning many-body perturbation theory, Phys. Chem. Chem. Phys., 7, 3933 (2005) [Key words: benzene anions; fluorobenzenes anioins; haloaromatic temporary anion radicals; vertical positions and widths of resonances; stabilization graphs; Preprint: PDF] |
| 5.
A. F. Izmaylov, A. I. Goker, B. Friedman, and P.
Nordlander Transient current in a quantum dot subject to a change in coupling to its leads, J. Phys.: Condens. Matter , 18, 8995 (2006) [Key words: time-dependent non-crossing approximation; transient currents; Kondo regime; Preprint: PDF] |
| 6.
A. F. Izmaylov, G. E. Scuseria, and M. J. Frisch Efficient evaluation of short-range Hartree-Fock exchange for large molecules and periodic systems, J. Chem. Phys., 125, 104103 (2006) [Key words: FMM; fast multipole method; Hartree-Fock exchange screening; Preprint: PDF] |
| 7.
A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E.
Scuseria Influence of the exchange screening parameter on the performance of screened hybrid functionals, J. Chem. Phys., 125, 224106 (2006) [Preprint: PDF] |
| 8.
A. F. Izmaylov, E. N. Brothers, and G. E.
Scuseria Linear-scaling calculation of static and dynamic polarizabilities in Hartree-Fock and density functional theory for periodic systems, J. Chem. Phys., 125, 224105 (2006) [Key words: analytical polarizability; PBC; periodic boundary conditions; Preprint: PDF] |
| 9.
A. F. Izmaylov, V. N. Staroverov, G. E. Scuseria, E. R. Davidson,
G. Stoltz, and E. Cances The effective local potential method: Implementation for molecules and relation to approximate optimized effective potential techniques, J. Chem. Phys. , 126, 084107 (2007) [Key words: ELP; OEP; LHF; CEDA; exact-exchange in DFT; Preprint: PDF] |
| 10.
A. F. Izmaylov, V. N. Staroverov, G. E. Scuseria, and
E. R. Davidson Self-consistent effective local potentials, J. Chem. Phys. ,127, 084113 (2007) [Key words: Self-consistent ELP; OEP; exact-exchange in DFT; Preprint: PDF] |
| 11.
A. F. Izmaylov and G. E. Scuseria Efficient evaluation of analytic vibrational frequencies in Hartree-Fock and density functional theory for periodic non-conducting systems, J. Chem. Phys., 127, 144106 (2007) [Key words: PBC frequencies; second derivatives with FMM; Preprint: PDF] |
| 13.
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 J. Phys. Chem. B, 111, 13869 (2007) [Key words: trans-polyacetylene and trans-polyethylene enthalpy of formation; Preprint: PDF] |
| 14.
T. M. Henderson, A. F. Izmaylov, G. E. Scuseria,
and A. Savin The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals J. Chem. Phys., 127, 221103 (2007) [Key words: range-separated hybrids; Preprint: PDF] |
| 12.
E. N. Brothers, A. F. Izmaylov, G. E. Scuseria, and K. N. Kudin
Analytically Calculated Polarizability of Carbon Nanotubes: Single Wall, Co-axial, and Bundled Systems, J. Phys. Chem. C, 112, 1396 (2008) [Key words: PBC dynamic polarizabilities; SWNT; Nanotube bundles; Preprint: PDF] |
| 15.
A. F. Izmaylov and G. E. Scuseria Resolution of the identity atomic orbital Laplace transformed second order Moller-Plesset theory for nonconducting periodic systems Phys. Chem. Chem. Phys., 10, 3421 (2008) [Key words: RI-MP2; PBC; trans-polyacetylene and anti-transoid polymethineimine; band gap Preprint: PDF] |
| 16.
A. F. Izmaylov and G. E. Scuseria Analytical infrared intensities for periodic systems with local basis sets Phys. Rev. B, 77, 165131 (2008) [Key words: IR spectra; PBC; PPV; poly(para-phenylenevinylene) Preprint: ArXiv] |
| 17.
E. N. Brothers*, A. F. Izmaylov*, J. O. Normand, V. Barone,
and G. E. Scuseria Accurate solid-state band gaps via screened hybrid electronic structure calculations J. Chem. Phys., 129, 011102 (2008) [*These authors contributed equally to this study; Key words: RI-MP2; PBC; trans-polyacetylene and anti-transoid polymethineimine; band gap Preprint: PDF] |
| 18.
A. F. Izmaylov and G. E. Scuseria Why are TD-DFT excitations in solids equal to band structure energy gaps for semilocal functionals and how does nonlocal Hartree-Fock type exchange introduce excitonic effects? J. Chem. Phys., 129, 034101 (2008) [Preprint: PDF] |
| 19.
T. M. Henderson, A. F. Izmaylov, G. E. Scuseria,
and A. Savin The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals J. Comp. Theor. Chem., 4, 1254 (2008) [Key words: range-separated hybrids; Preprint: PDF] |