Artur Izmaylov

Email: artur@gaussian.com

Gaussian Postdoctoral Fellow, Yale University (Prof. J. C. Tully)
Ph.D., Chemistry, Rice University, Houston, Texas (Prof. G. E. Scuseria)
M.S., Physical Chemistry, Moscow State University (Dr.Sci. A.V. Zaitsevskii)

Contributions to Gaussian: Efficient evaluation of full- and short-range Hartree Fock exchanges; linear response properties with Periodic Boundary Conditions: polarizabilities, harmonic frequencies, IR intensities

Research Interests

• Many-body perturbation theory methods
• Negative ions with small and negative electron detachment energies
• Linear scaling techniques
• Quantum chemistry with Periodic Boundary Conditions
• Nonadiabatic dynamics

Selected Publications

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 (2008) 034101.

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 (2007) 144106.

A. F. Izmaylov, G. E. Scuseria, M. J. Frisch, "Efficient evaluation of short-range Hartree-Fock exchange for large molecules and periodic systems", J. Chem. Phys. 125 (2006) 104103.

A. F. Izmaylov, L. N. Shchegoleva, G. E. Scuseria, A. Zaitsevskii, "Ab initio study of temporary anions of benzene and fluorobenzenes using the multipartitioning many-body perturbation theory", Phys. Chem. Chem. Phys. 7 (2005) 3933.

Full publication list

Last update: 12 May 2010