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Journal of Chemical Theory and Computation|November 7, 2019
Construction of a Range-Separated Dual-Hybrid Direct Random Phase ApproximationPál D Mezei, Mihály KállayJournal of Chemical Theory and Computation|October 23, 2019
Reducing the Many-Electron Self-Interaction Error in the Second-Order Screened Exchange MethodPál D Mezei, Adrienn Ruzsinszky, Mihály KállayJournal of Chemical Theory and Computation|March 5, 2020
Noncovalent Quantum Machine Learning Corrections to Density FunctionalsPál D Mezei, O Anatole von LilienfeldJournal of Chemical Theory and Computation|March 23, 2018
Simple Modifications of the SCAN Meta-Generalized Gradient Approximation FunctionalPál D Mezei, Gábor I Csonka, Mihály KállayJournal of Chemical Theory and Computation|November 18, 2015
Accurate Complete Basis Set Extrapolation of Direct Random Phase Correlation EnergiesPál D Mezei, Gábor I Csonka, Adrienn RuzsinszkyJournal of Chemical Theory and Computation|November 18, 2015
Accurate Diels-Alder reaction energies from efficient density functional calculationsPál D Mezei, Gábor I Csonka, Mihály KállayJournal of Chemical Theory and Computation|September 12, 2017
Electron Density Errors and Density-Driven Exchange-Correlation Energy Errors in Approximate Density Functional CalculationsPál D Mezei, Gábor I Csonka, Mihály KállayJournal of Chemical Theory and Computation|August 9, 2016
Application of a Dual-Hybrid Direct Random Phase Approximation to Water ClustersPál D Mezei, Adrienn Ruzsinszky, Gábor I CsonkaJournal of Chemical Theory and Computation|January 5, 2017
Construction of a Spin-Component Scaled Dual-Hybrid Random Phase ApproximationPál D Mezei, Gábor I Csonka, Adrienn Ruzsinszky, et al.Journal of Chemical Theory and Computation|November 18, 2015
Accurate, precise, and efficient theoretical methods to calculate anion-π interaction energies in model structuresPál D Mezei, Gábor I Csonka, Adrienn Ruzsinszky, et al.Pageof 2