Publications by authors named "Emil Proynov"

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Correcting the Charge Delocalization Error of Density Functional Theory.
Emil Proynov, Jing Kong

J Chem Theory Comput· August 2021

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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, Emil I Proynov

J Chem Phys· August 2021

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Model DFT exchange holes and the exact exchange hole: Similarities and differences.
Yiting Wang, Emil Proynov, Jing Kong

J Chem Phys· January 2021

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Performance of new density functionals of nondynamic correlation on chemical properties.
Matthew Wang, Dwayne John, Jianguo Yu, Emil Proynov, Fenglai Liu

J Chem Phys· May 2019

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Long-range-corrected Rung 3.5 density functional approximations.
Benjamin G Janesko, Emil Proynov, Giovanni Scalmani, Michael J Frisch

J Chem Phys· March 2018

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Practical Density Functionals beyond the Overdelocalization-Underbinding Zero-Sum Game.
Benjamin G Janesko, Emil Proynov, Jing Kong, Giovanni Scalmani, Michael J Frisch

J Phys Chem Lett· September 2017

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Describing a Strongly Correlated Model System with Density Functional Theory.
Jing Kong, Emil Proynov, Jianguo Yu, Ruth Pachter

J Phys Chem Lett· July 2017

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Testing Exact Upper Bounds to Exact Exchange.
Emil Proynov, Benjamin G Janesko

J Chem Theory Comput· May 2017

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Accurate alkynyl radical structures from density functional calculations without Hartree-Fock exchange.
Benjamin G Janesko, Emil Proynov

J Chem Phys· February 2017

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Density Functional Model for Nondynamic and Strong Correlation.
Jing Kong, Emil Proynov

J Chem Theory Comput· January 2016

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Density-functional approach to the three-body dispersion interaction based on the exchange dipole moment.
Emil Proynov, Fenglai Liu, Zhengting Gan, Matthew Wang, Jing Kong

J Chem Phys· August 2015

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Comparison of the performance of exact-exchange-based density functional methods.
Fenglai Liu, Emil Proynov, Jian-Guo Yu, Thomas R Furlani, Jing Kong

J Chem Phys· September 2012

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An Improved meta-GGA Correlation Functional of the Lap Family.
Emil Proynov, Jing Kong

J Chem Theory Comput· April 2012

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Modified Becke'05 method of nondynamic correlation in density functional theory with self-consistent implementation.
Emil Proynov, Fenglai Liu, Jing Kong

Chem Phys Lett· February 2012

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Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation.
Emil Proynov, Fenglai Liu, Yihan Shao, Jing Kong

J Chem Phys· January 2012

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Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method.
Emil Proynov, Yihan Shao, Jing Kong

Chem Phys Lett· June 2010

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Analytical representation of the Becke-Roussel exchange functional.
Emil Proynov, Zhenting Gan, Jing Kong

Chem Phys Lett· March 2008

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Improved meta-GGA Correlation Functional of the Lap Family.
Emil Proynov, Jing Kong

J Chem Theory Comput· May 2007

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Advances in methods and algorithms in a modern quantum chemistry program package.
Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, Jörg Kussmann, Christian Ochsenfeld, Emil I Proynov

Phys Chem Chem Phys· July 2006

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