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The Journal of Physical Chemistry. A|June 1, 2018
A Comprehensive Assessment of the Effectiveness of Orbital Optimization in Double-Hybrid Density Functionals in the Treatment of Thermochemistry, Kinetics, and Noncovalent InteractionsAsim Najibi, Lars GoerigkPhysical Chemistry Chemical Physics : PCCP|March 9, 2011
A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactionsLars Goerigk, Stefan GrimmeJournal of Chemical Theory and Computation|August 2, 2017
Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite ScalingTobias Schwabe, Lars GoerigkJournal of Chemical Theory and Computation|November 25, 2015
Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals-Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent InteractionsLars Goerigk, Stefan GrimmeJournal of Computational Chemistry|January 8, 2021
Global double hybrids do not work for charge transfer: A comment on "Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states"Marcos Casanova-Páez, Lars GoerigkPhysical Chemistry Chemical Physics : PCCP|June 16, 2026
The extended "family" of B97-based density functional approximations: a comprehensive overview for DFT users and developersAriel C Jones, Lars GoerigkJournal of Chemical Theory and Computation|July 22, 2021
Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet-Singlet and Singlet-Triplet Excitation EnergiesMarcos Casanova-Páez, Lars GoerigkRSC Advances|May 6, 2022
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer modelsAmy C Hancock, Lars GoerigkRSC Advances|December 13, 2023
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer modelsAmy C Hancock, Lars GoerigkJournal of Chemical Theory and Computation|November 9, 2023
Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 SetDominique A Wappett, Lars GoerigkPageof 6