Fedor Naumkin (Theoretical Chemistry/Chemical Physics)

1992, Ph.D in Laser Physics (focus on Molecular Physics)
General Physics Institute, Moscow (Russian Academy of Sciences), with Prof. S. I. Yakovlenko and Dr V. G. Pevgov

1987, M.Sc Ist honour in Physics (With high distinction)
Moscow Institute of Engineering Physics (State University)

1998-now, Visiting Assistant Professor
Department of Chemistry, University of Toronto (Canada)

1997-1998, Research Associate
1996-1997, Postdoctoral Fellow
Department of Chemistry, University of Waterloo (Canada), with Prof. F. R. W. McCourt and Prof. R. J. LeRoy

1996 (summer), INTAS Visiting Researcher
Department of Chemistry, University of Cambridge (UK), with Dr D. J. Wales

1995-1996, Visiting Scientist of the Max-Planck-Institut fur Physik Komplexer Systeme
Institut für Theoretische Chemie, Universität Stuttgart (Germany), with Prof. H.-J. Werner and Prof. P. Fulde

1994-1995, Postdoctoral Fellow of the Royal Society
School of Chemistry and Molecular Sciences, University of Sussex (UK), with Prof. J. N. Murrell and Dr P. J. Knowles

1992-1994, Research Officer
1987-1992, Research Associate
General Physics Institute, Mos cow (Russian Academy of Sciences)

2002, Lecturer, Chemical Kinetics and Dynamics (4th-year undergraduate course)
Department of Chemistry, University of Toronto (Canada)

2000, Lecturer, Applications of Quantum Mechanics (4th-year undergraduate course)
Department of Chemistry, University of Toronto (Canada)

1998-2001, Lecturer, Physical Chemistry for Life Sciences (2nd-year undergraduate course)
Department of Chemistry, University of Toronto (Canada)

First consistent procedures for calculations of relativistic potential energy surfaces of Rg_n* and of (transition) dipole moment surfaces of Rg_n⁺ and Rg_n* clusters within the DIM approach (accurately reproducing direct ab initio results), with applications for Rg = Ne to Xe;
Prediction of the cluster structures, photoabsorption and fluorescence spectra, radiative lifetimes, and stimulated emission cross sections;
Prediction of linear symmetric equilibrium configurations for the lowest-energy states of Rg₃* and of their preservation and surface location in larger clusters (unlike central location of Rg₃⁺ in Rg_n⁺) as a direct confirmation of surface excitons by electronic structure calculations. [25] [33] [35]

First relativistic (DIM) calculations of the full sets of the Ar-I₂ and Ar-I₂^- potential energy surfaces (PES) correlating to the atomic asymptotes Ar(¹S) + k I^-(¹S) + (2-k) I(²P_3/2,1/2), with k = 0 and 1, respectively, and detailed analysis of relativistic state compositions for the complexes and isolated I₂; [24] [32]
First high-level ab initio calculations of the ground state PES for a systematic series of complexes Ar-X₂ (X = B, C, N, O, F, Br, I), analysis of trends in their parameters [36], and prediction of linear equilibrium configurations for the ground state ArC₂, ArI₂, and ArBr₂; [22] [30] [34]
Matrix-additive procedure for evaluation of relativistic PES of clusters of closed-shell atoms doped with an open-shell molecule, and its application to Ar_nNO. [38]

Simple model of atom-molecule interactions, accurately predicting PES topologies in terms of anisotropic atom-atom potentials, as confirmed for RgCl₂ and all above species (except ArB₂); [20] [23] [36]
Accurate fitting of atom-diatom PES in terms of a minimal number of their cuts (more efficiently than with standard Legendre polynomial expansions) using effective atom-atom potentials describing the interactions of atoms perturbed by intramolecular forces; [21]
Transfer of the calculated perturbations of the interaction between a (distorted) atom within a molecule and an external atom (1) to more accurate ab initio atom-atom potentials, thereby accurately reproducing the more accurate direct ab initio results for the total system; (2) to empirical atom-atom potentials, thereby bracketing the corresponding atom-molecule PES parameters up to reproducing them within their experimental uncertainties with no fitting, as proved for Rg-Cl₂ (Rg = Ne, Ar); (3) between different systems with similar structural fragments, thereby transferring the accuracy of results (experimental or ab initio), available for one system, to the other(s). [23] [28] [44] [52]

Procedure for assignment of rovibrational energy levels associated with a double-well intermolecular PES to, and for analysis of the contributions to the associated transition spectra and scattering cross section from, different conformers of the system;
Separation of the microwave spectra components associated with the linear (and T-shaped) conformers of RgCl₂ (Rg = He, Ne, Ar) and ArX₂ (X = Cl, Br, I); [23] [26] [28]
Prediction of a significant influence of the linear conformer on the value and angle dependence of scattering cross sections of Rg-X₂ systems, more via the radial position of the potential well than its depth. [26] [28]

Corrections to the Legendre polynomial representation of the potential between a closed-shell atom and an open-shell atom. [28] [29]

No formal eligibility to apply for grants since 1994.

About 350 references