Emil Proynov, Ph.D.


 

emil

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 was one of his main research topics over the years.

Selected Scientific Publications of Dr Emil Proynov

[1] E. Proynov, F. Liu, and J. Kong, Modified Becke’05 method of nondynamic correlation in DFT with SCF implementation, Chem. Phys. Lett., 525, 150 (2012).
[2] E. Proynov, F. Liu, Y. Shao, and J. Kong, Improved SCF and RI approximated Becke’05 DFT model of nondynamic electron correlation, J. Chem. Phys., 136, 034102 (2012).
[3] E. Proynov, Y. Shao, and J. Kong, Efficient SCF DFT description of nondynamic correlation, Chem. Phys. Lett.,493, 381 (2010).
[4] E. Proynov and J. Kong, Analytic form of the correlation energy of the uniform electron gas, Phys. Rev. A 79, 014103 (2009).
[5] 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. Vaislov, Tz. Mineva, Heron Press, Sofia-Varna, 2008.
[6] J. Kong, Z. Gan, E. Proynov, M. Freindorf, and T. Furlani, Efficient computation of the dispersion interaction with density functional theory, Phys. Rev. A, 79, 042510 (2009).
[7] E. Proynov, Z. Gan, and J. Kong, Analytical SCF representation of the Becke-Roussel exchange functional, Chem. Phys. Lett. 455, 103 (2008).
[8] A. K. Roy, A. F. Jalbout, and E. I. Proynov, Bound state spectra of the 3D rational potential, Int. J. Quant. Chem. 108, 827 (2008).
[9] A. K. Roy, A. F. Jalbout, and E. I. Proynov, Accurate calculation of the bound states of Hellmann potential, J. Math. Chem. 44, 260 (2008).
[10] E. Proynov and J. Kong, Improved meta-GGA Correlation Functional of the Lap Family, JCTC 3, 746 (2007).
[11] Y. Shao, J. Kussman, A.T. Gilbert, D.P. O’Neil, T. Wang, J.M. Herbert, S.H. Chien, V. Rassolov, R. Adamson, E.F.C. Byrd, A. Dreuw, T.R. Furlani, S. Hirata, R.Z. Khalliulin, M.S. Lee, B. Peters, Y.M. Rhee, C.D. Sherrill, H.L. Woodcock, A. K. Chakraborty, A. Warshel, A.I. Krylov, L.F. Molnar, C. Ochsenfeld, L.V. Slipchenko, R.A. Distasio Jr, G.J.O. Beran, C.Y. Lin, A.Stodt, P. Maslen, B. Austin, H. Daschle, B.D. Dunietz, S.R. Gwaltney, C. Hsu, P. Klunzinger, W. Liang, E.I. Proynov, J. Ritchie, A.C. Simmonett, W. Zhang, D.M. Chipman, H.F. Schaefer III, P.M.W. Gill, Y. Jung, S.T. Brown, S. Levchenko, R.C. Lochan, N.A. Besley, T. Van Voorhis, R. Steele, P. Korambath, J. Baker, R.J. Doerksen, A.D. Dutoi, A. Heyden, G. Kedziora, A. Lee, N. Nair, P. Pieniazek, E. Rosta, J.E. Subotnik, A.T. Bell, W. Hehre, J. Kong, and M. Head-Gordon, Q-Chem 3.0: Advances in methods and algorithms in a modern quantum chemistry program package, Phys. Chem. Chem. Phys. 8, 3172 (2006).
[12] E. Proynov, On the maximum number of odd electrons in a molecule, J. Mol. Str. (Theochem), 762, 159 (2006).
[13] E. Proynov , Simple analytic form of the correlation energy of the homogeneous electrn gas, J. Mol. Str. (Theochem), 762, 139 (2006).
[14] E. Proynov and A. Thakkar, Is Combining meta-GGA correlation functionals with the OPTX exchange functional useful ? Int. J. Quant. Chem. 106, 436 (2006).
[15] E. Proynov, H. Chermette, D.R. Salahub, New tau Dependent Correlation Functional   Combined with a Modified Becke Exchange, J. Chem. Phys. 113, 10013 (2000).
[16] 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).
[17] 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). 
[18] 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). 
[19] E.I. Proynov and D.R. Salahub, A Simple but Efficient Correlation  Functional from a Pair Correlation Function, Phys.Rev. B49, 7874 (1994).                     

Citation index: about 1280 citations in recognized journals and books by February 2012.