Emil Proynov

Middle Tennessee State University — United States

Physics and Astronomy · Physical Sciences

22h-index8.5kcitations61works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(47), Spectroscopy and Quantum Chemical Studies(24), Photochemistry and Electron Transfer Studies(10), Catalysis and Oxidation Reactions(9), Free Radicals and Antioxidants(9)

Publications60 total

Analyzing cases of significant nondynamic correlation with DFT using the atomic populations of effectively localized electrons
Theoretical Chemistry Accounts·2022
Analyzing cases of significant nondynamic correlation with DFT using the Atomic Populations of Effectively Localized Electrons
arXiv (Cornell University)·2021Open Access
Correcting the Charge Delocalization Error of Density Functional Theory
Journal of Chemical Theory and Computation·2021· 20 cited
Reducing charge delocalization error of density functional theory
arXiv (Cornell University)·2021Open Access
Model DFT exchange holes and the exact exchange hole: Similarities and differences
The Journal of Chemical Physics·2021· 5 cited
Performance of new density functionals of nondynamic correlation on chemical properties
The Journal of Chemical Physics·2019· 11 cited
Long-range-corrected Rung 3.5 density functional approximations
The Journal of Chemical Physics·2018· 27 cited
Practical Density Functionals beyond the Overdelocalization–Underbinding Zero-Sum Game
The Journal of Physical Chemistry Letters·2017· 59 cited
Describing a Strongly Correlated Model System with Density Functional Theory
The Journal of Physical Chemistry Letters·2017· 12 cited
Erratum: Analytic form of the correlation energy of the uniform electron gas [Phys. Rev. A 79, 014103 (2009)]
Physical review. A/Physical review, A·2017· 3 citedOpen Access
Testing Exact Upper Bounds to Exact Exchange
Journal of Chemical Theory and Computation·2017· 5 cited
Accurate alkynyl radical structures from density functional calculations without Hartree-Fock exchange
The Journal of Chemical Physics·2017· 5 cited
Optimized effective potentials at a glance: the effective exchange potential of Becke–Johnson applied to molecules
Theoretical Chemistry Accounts·2016· 1 cited
Density Functional Model for Nondynamic and Strong Correlation
Journal of Chemical Theory and Computation·2015· 81 citedOpen Access
Density-functional approach to the three-body dispersion interaction based on the exchange dipole moment
The Journal of Chemical Physics·2015· 21 citedOpen Access
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Molecular Physics·2014· 3.1k cited
Erratum: Analyzing effects of strong electron correlation within Kohn-Sham density-functional theory [Phys. Rev. A<b>88</b>, 032510 (2013)]
Physical Review A·2013· 2 citedOpen Access
Analyzing effects of strong electron correlation within Kohn-Sham density-functional theory
Physical Review A·2013· 14 cited
Comparison of the performance of exact-exchange-based density functional methods
The Journal of Chemical Physics·2012· 47 citedOpen Access
An Improved meta-GGA Correlation Functional of the Lap Family
Journal of Chemical Theory and Computation·2012· 2 cited
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Frequent Co-authors

Jing Kong(20), Dennis R. Salahub(17), Fenglai Liu(8), Alberto Vela(5), Benjamin G. Janesko(5), Yihan Shao(4), Suzanne Sirois(4), Zhengting Gan(3), Thomas R. Furlani(3), Anne Milet(3), Jianguo Yu(3), D. R. Salahub(3), Andrew T. B. Gilbert(2), Jörg Kußmann(2), Young Min Rhee(2), Ryan P. Steele(2), H. Lee Woodcock(2), Brian Austin(2), Gregory J. O. Beran(2), Shawn T. Brown(2)