Showing results (41-50 of 251) with videos related to
Sort By:
Pageof 26
Journal of Chemical Theory and Computation|September 28, 2022
Local Hybrid Functional Applicable to Weakly and Strongly Correlated SystemsArtur Wodyński, Martin KauppJournal of Chemical Theory and Computation|November 18, 2015
Efficient Self-Consistent Implementation of Local Hybrid FunctionalsHilke Bahmann, Martin KauppJournal of Chemical Theory and Computation|January 30, 2018
Noncollinear Two-Component Quasirelativistic Description of Spin Interactions in Exchange-Coupled Systems. Mapping Generalized Broken-Symmetry States to Effective Spin HamiltoniansArtur Wodyński, Martin KauppJournal of Computational Chemistry|January 24, 2026
Local-Hybrid Functional With a Composite Local Mixing Function Built From a Neural Network and a Strong-Correlation ModelArtur Wodyński, Martin KauppJournal of Chemical Theory and Computation|July 18, 2025
"Beyond-Zero-Sum" Range-Separated Local Hybrid Functional with Improved Dynamical CorrelationArtur Wodyński, Martin KauppJournal of Chemical Theory and Computation|May 19, 2023
Accurate Ionization Potentials, Electron Affinities, and Band Gaps from the ωLH22t Range-Separated Local Hybrid Functional: No Tuning RequiredSusanne Fürst, Martin KauppDalton Transactions (Cambridge, England : 2003)|December 1, 2021
Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactionsMaite Nößler, David Hunger, Felix Reichert, et al.The Journal of Chemical Physics|November 29, 2014
Towards improved local hybrid functionals by calibration of exchange-energy densitiesAlexei V Arbuznikov, Martin KauppJournal of Chemical Theory and Computation|November 19, 2021
Extended Benchmark Set of Main-Group Nuclear Shielding Constants and NMR Chemical Shifts and Its Use to Evaluate Modern DFT MethodsCaspar Jonas Schattenberg, Martin KauppThe Journal of Chemical Physics|January 14, 2012
Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction correctionsAlexei V Arbuznikov, Martin KauppPageof 26