Dr Emil Proynov obtained his Ph.D degree of Chemistry from Bulgarian Academy of Sciences, Sofia, Bulgaria. His Ph.D research was in the field of theory of heterogeneous catalysis. In 1991 he took a postdoctoral research position in the laboratory of Professor Dennis Salahub in Montreal University. He remained in his group as a research fellow untill the end of 1998. He specialized there in density functional theory, fundamental aspects and applications. His main research topic was the development of new nonlocal density functionals for correlation. Dr Proynov contributed to the development of one of the first ‘meta-GGA’ correlation functional published in 1994. Developing new efficient density functional theory algorithms remains one of his main research topics over the years and presently as a staff scientist in Q-Chem.
Selected Scientific Publications of Dr Emil Proynov
[1] E. Proynov and J. Kong, Analytic form of the correlation energy of the uniform electron gas, Phys. Rev. A 79, 014103 (2009)
[2] E. Proynov and J. Kong, Assessment of a new hybrid functional on thermo-chemistry, metal-ligand bonding and reaction barriers, in Theoretical Aspects of Catalysis, Eds. G. Vaisilov and Tz. Mineva, Heron Press, Sofia-Varna, 2008.
[3] E. Proynov, Simple analytic form of the correlation
energy of the uniform electron gas, J. Mol. Str. (THEOCHEM), 762, 139 (2006).
Important supplementing material can be found here.
[4] E. Proynov, Z. Gan and J. Kong, Analytical representation of the Becke-Roussel exchange functional, Chem. Phys. Lett. 455, 103 (2008).
[5] E. Proynov and J. Kong, Improved Meta-GGA Correlation Functional of the LAP Family,
J. Chem. Theor. Comp., 3, 746 (2007).
[6] E. Proynov, On the maximum number of odd electrons in a molecule, J. Mol. Str. (THEOCHEM), 762, 159 (2006).
[7] E. Proynov and A. Thakkar, Is Combining meta-GGA correlation functionals with the OPTX exchange functional useful ? Int. J. Quant. Chem. 106, 436 (2006).
[8] E. Proynov, H. Chermette, D.R. Salahub, New tau Dependent Correlation Functional Combined with a Modified Becke Exchange, J. Chem. Phys. 113, 10013 (2000).
[9] Proynov, E.I., Ruiz, E., Vela, A., and Salahub, D.R., Determining and Extending the Domain of Exchange and Correlation Functionals, Int. J. Quant. Chem.(Symp.) 29, 61 (1995).
[10] E. I. Proynov, S. Sirois and D. R. Salahub, Further Development of the LAP Functional to
Include Parallel Spin Correlation, Int.J.Quant.Chem. 64, 427 (1997).
[11] E. Proynov, A. Vela and D. R. Salahub, Nonlocal Correlation functional involving the Laplacian of the density, Chem.Phys.Lett. 230, 419 (1994); Erratum, ibid., 234, 462 (1995).
[12] E.I. Proynov and D.R. Salahub, A Simple but Efficient Correlation Functional from a Pair Correlation Function, Phys.Rev. B49, 7874 (1994).
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