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R. Gherib, I. G. Ryabinkin, and A. F. Izmaylov Why do mixed quantum-classical methods describe short-time dynamics through conical intersections so well? Analysis of geometric phase effects, J. Chem. Theory Comp., in press (2015) arXiv:1501.06816
L. Joubert-Doriol and A. F. Izmaylov Problem-free time-dependent variational principle for open systems, J. Chem. Phys. in press (2015) arXiv:1501.02025
J. Nagesh, A. F. Izmaylov, and P. Brumer An efficient implementation of the localized operator partitioning method for electronic energy transfer, J. Chem. Phys. 142, 084114 (2015)
L. Joubert-Doriol, I. G. Ryabinkin, and A. F. Izmaylov Non-stochastic matrix Schrödinger equation for open systems, J. Chem. Phys. 141, 234112 (2014)
J. S. Endicott, L. Joubert-Doriol, and A. F. Izmaylov A perturbative formalism for electronic transitions through conical intersections in a fully quadratic vibronic model, J. Chem. Phys. 141, 034104 (2014)
I. G. Ryabinkin, L. Joubert-Doriol, and A. F. Izmaylov When do we need to account for the geometric phase in excited state dynamics? J. Chem. Phys. 140, 214116 (2014) Editors’ choice.
I. G. Ryabinkin, C.-Y. Hsieh, R. Kapral, and A. F. Izmaylov Analysis of geometric phase effects in the quantum-classical Liouville formalism, J. Chem. Phys., 140, 084104 (2014)
L. Joubert-Doriol, I. G. Ryabinkin, and A. F. Izmaylov Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model, J. Chem. Phys., 139, 234103 (2013)
I. G. Ryabinkin and A. F. Izmaylov, Geometric phase effects in dynamics near conical intersections: Symmetry breaking and spatial localization, Phys. Rev. Lett., 111, 220406 (2013)
A. F. Izmaylov, Perturbative Wave-packet Spawning Procedure for Non-adiabatic Dynamics in Diabatic Representation, J. Chem. Phys., 138, 104115 (2013)
A. F. Izmaylov, D. Mendive-Tapia, M. J. Bearpark, M.A. Robb, J.C. Tully, M.J. Frisch, Nonequilibrium Fermi golden rule for electronic transitions through conical intersections, J. Chem. Phys., 135, 234106 (2011)
M. R. C. Williams, A. B. True, A. F. Izmaylov, T. A. French, K. Schroeck, and C. A. Schmuttenmaer , Terahertz spectroscopy of enantiopure and racemic polycrystalline valine, Phys. Chem. Chem. Phys., 13, 11719 (2011)
N. A. Shenvi and A. F. Izmaylov, Active-space N-representability constraints for variational two-particle reduced density matrix calculations, Phys. Rev. Lett., 105, 213003 (2010)
A. F. Izmaylov, J. C. Tully, and M. J. Frisch, Relativistic interactions in the radical pair model of magnetic field sense in CRY-1 protein of Arabidopsis thaliana, J. Phys. Chem. A, 113, 12276 (2009)
T. M. Henderson, A. F. Izmaylov, G. Scalmani, and G. E. Scuseria, Can short-range hybrids describe long-range-dependent properties? J. Chem. Phys., 131, 044108 (2009)
T. M. Henderson, A. F. Izmaylov, G. E. Scuseria, and A. Savin, Assessment of a middle-range hybrid functional, J. Chem. Theory Comp., 4, 1254 (2008)
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)
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)
A. F. Izmaylov and G. E. Scuseria, Analytical infrared intensities for periodic systems with local basis sets, Phys. Rev. B, 77, 165131 (2008)
A. F. Izmaylov, and G. E. Scuseria, Resolution of the identity atomic orbital Laplace transformed second order Møller-Plesset theory for nonconducting crystals, Phys. Chem. Chem. Phys., 10, 3421 (2008)
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 System, J. Phys. Chem. C, 112, 1396 (2008)