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The Journal of Chemical Physics|February 22, 2016
Validation of local hybrid functionals for TDDFT calculations of electronic excitation energiesToni M Maier, Hilke Bahmann, Alexei V Arbuznikov, et al.Journal of Chemical Theory and Computation|December 3, 2015
Electron Transmission through Aromatic MoleculesMatthias Ernzerhof, Hilke Bahmann, Francois Goyer, et al.The Journal of Physical Chemistry. A|February 11, 2022
Quantification of Geometric Errors Made Simple: Application to Main-Group Molecular StructuresStefan VuckovicJournal of Chemical Theory and Computation|May 15, 2019
Density Functionals from the Multiple-Radii Approach: Analysis and Recovery of the Kinetic Correlation EnergyStefan VuckovicThe Journal of Physical Chemistry Letters|November 10, 2020
Quantifying and Understanding Errors in Molecular GeometriesStefan Vuckovic, Kieron BurkeThe Journal of Chemical Physics|November 17, 2019
Range-separation and the multiple radii functional approximation inspired by the strongly interacting limit of density functional theoryTim Gould, Stefan VuckovicJournal of Chemical Theory and Computation|June 16, 2025
"Slim" Benchmark Sets for Faster Method DevelopmentTim Gould, Stefan VuckovicThe Journal of Physical Chemistry Letters|June 6, 2017
Simple Fully Nonlocal Density Functionals for Electronic Repulsion EnergyStefan Vuckovic, Paola Gori-GiorgiPhysical Chemistry Chemical Physics : PCCP|April 10, 2024
Deep Mind 21 functional does not extrapolate to transition metal chemistryHeng Zhao, Tim Gould, Stefan VuckovicNature Communications|December 1, 2025
Real-space machine learning of correlation density functionalsElias Polak, Heng Zhao, Stefan VuckovicPageof 6