Proynov E - Search Results

1

Correcting the Charge Delocalization Error of Density Functional Theory.

Proynov E, Kong J. Proynov E, et al. J Chem Theory Comput. 2021 Aug 10;17(8):4633-4638. doi: 10.1021/acs.jctc.1c00197. Epub 2021 Jul 23. J Chem Theory Comput. 2021. PMID: 34297569

2

Density Functional Model for Nondynamic and Strong Correlation.

Kong J, Proynov E. Kong J, et al. Among authors: proynov e. J Chem Theory Comput. 2016 Jan 12;12(1):133-43. doi: 10.1021/acs.jctc.5b00801. Epub 2015 Dec 14. J Chem Theory Comput. 2016. PMID: 26636190

3

Comparison of the performance of exact-exchange-based density functional methods.

Liu F, Proynov E, Yu JG, Furlani TR, Kong J. Liu F, et al. Among authors: proynov e. J Chem Phys. 2012 Sep 21;137(11):114104. doi: 10.1063/1.4752396. J Chem Phys. 2012. PMID: 22998246 Free PMC article.

4

Density-functional approach to the three-body dispersion interaction based on the exchange dipole moment.

Proynov E, Liu F, Gan Z, Wang M, Kong J. Proynov E, et al. J Chem Phys. 2015 Aug 28;143(8):084125. doi: 10.1063/1.4929581. J Chem Phys. 2015. PMID: 26328836 Free PMC article.

5

An Improved meta-GGA Correlation Functional of the Lap Family.

Proynov E, Kong J. Proynov E, et al. J Chem Theory Comput. 2012 Apr 10;8(4):1514. doi: 10.1021/ct2009076. Epub 2012 Mar 21. J Chem Theory Comput. 2012. PMID: 26596761 No abstract available.

6

Improved meta-GGA Correlation Functional of the Lap Family.

Proynov E, Kong J. Proynov E, et al. J Chem Theory Comput. 2007 May;3(3):746-54. doi: 10.1021/ct600372t. J Chem Theory Comput. 2007. PMID: 26627392

7

Describing a Strongly Correlated Model System with Density Functional Theory.

Kong J, Proynov E, Yu J, Pachter R. Kong J, et al. Among authors: proynov e. J Phys Chem Lett. 2017 Jul 6;8(13):3142-3146. doi: 10.1021/acs.jpclett.7b01056. Epub 2017 Jun 26. J Phys Chem Lett. 2017. PMID: 28622472

8

Practical Density Functionals beyond the Overdelocalization-Underbinding Zero-Sum Game.

Janesko BG, Proynov E, Kong J, Scalmani G, Frisch MJ. Janesko BG, et al. Among authors: proynov e. J Phys Chem Lett. 2017 Sep 7;8(17):4314-4318. doi: 10.1021/acs.jpclett.7b02023. Epub 2017 Aug 29. J Phys Chem Lett. 2017. PMID: 28837338

9

Performance of new density functionals of nondynamic correlation on chemical properties.

Wang M, John D, Yu J, Proynov E, Liu F, Janesko BG, Kong J. Wang M, et al. Among authors: proynov e. J Chem Phys. 2019 May 28;150(20):204101. doi: 10.1063/1.5082745. J Chem Phys. 2019. PMID: 31153192

10

Model DFT exchange holes and the exact exchange hole: Similarities and differences.

Wang Y, Proynov E, Kong J. Wang Y, et al. Among authors: proynov e. J Chem Phys. 2021 Jan 14;154(2):024101. doi: 10.1063/5.0031995. J Chem Phys. 2021. PMID: 33445889

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