Viktor N. Staroverov
Contact Information
Title: Professor
Office: Rm 063 ChB
Lab: Rm 062 ChB
Phone (Office): ext 86317
E-mail: vstarove@uwo.ca
Physical & Analytical Teaching Division
Theory and Computation
Quantum Chemistry, Electronic Structure Methods, Density-Functional Theory
Education
M.Sc., Brock University (1997); Ph.D., Indiana University (2001); Postdoctoral Fellow, Rice University
AWARDS
- Keith Laidler Award, Canadian Society for Chemistry (2017)
- Florence Bucke Science Prize (2016)
- Faculty Scholar Award (2016)
- Discovery Accelerator Supplement, NSERC (2015)
- Early Researcher Award (2010)
RESEARCH
We develop theoretical methods and computer programs for studying the electronic structure and properties of molecules and solids. The focus of our efforts is on advancing density-functional theory (DFT) through insights obtained by discovering and exploring new links between DFT and wavefunction techniques. We also apply quantum-chemistry methods to practical problems of chemistry and materials research.
TEACHING
- 1301 - Discovering Chemical Structure
- 1302 - Discovering Chemical Energetics
- 3300 - Computer Methods in Chemistry
- 3374 - Quantum Chemistry and Spectroscopy
- 4474 - Advanced Quantum Chemistry and Spectroscopy
- 9648 - Computational Quantum Chemistry
- 9734 - Symmetry in Chemistry
SELECTED PUBLICATIONS
- Exchange energies and density functionals for systems of fermions of arbitrary spin, I. P. Bosko and V. N. Staroverov, Phys. Rev. A 2023, 108, 052803.
- Noninteracting v-representable subspaces of orbitals in the Kohn–Sham method, V. N. Staroverov, J. Phys. Chem. Lett. 2022, 13, 6839.
- Complete-active-space extended Koopmans theorem method, E. R. Davidson, J. V. Ortiz, and V. N. Staroverov, J. Chem. Phys. 2021, 155, 051102.
- First ionization energy as the asymptotic limit of the average local electron energy, A. M. El-Samman, E. Ospadov, and V. N. Staroverov, J. Chem. Theory Comput. 2020, 16, 6886.
- Unified construction of Fermi, Pauli, and exchange-correlation potentials, V. N. Staroverov and E. Ospadov, Adv. Quantum Chem. 2019, 79, 201.
- Visualizing atomic sizes and molecular shapes with the classical turning surface of the Kohn–Sham potential, E. Ospadov, J. Tao, V. N. Staroverov, and J. P. Perdew, Proc. Natl. Acad. Sci. U.S.A. 2018, 115, E11578.
