Lars Goerigk
Affiliations: | Chemistry | University of Melbourne, Australia |
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Parents
Sign in to add mentor| Stefan Grimme | grad student | University of Muenster, Germany | |
| Jeffrey Reimers | grad student | ANU |
Children
Sign in to add trainee| Viki Kumar Prasad | research assistant | 2016-2016 | University of Melbourne, Australia |
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Publications
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| Wappett DA, Goerigk L. (2023) Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set. Journal of Chemical Theory and Computation |
| Lonsdale DR, Goerigk L. (2023) One-electron self-interaction error and its relationship to geometry and higher orbital occupation. The Journal of Chemical Physics. 158: 044102 |
| Hancock AC, Goerigk L. (2022) Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models. Rsc Advances. 12: 13014-13034 |
| Casanova-Páez M, Goerigk L. (2022) Assessing the Tamm-Dancoff approximation, singlet-singlet, and singlet-triplet excitations with the latest long-range corrected double-hybrid density functionals. The Journal of Chemical Physics. 153: 064106 |
| Casanova-Páez M, Goerigk L. (2022) Assessing the Tamm-Dancoff approximation, singlet-singlet, and singlet-triplet excitations with the latest long-range corrected double-hybrid density functionals. The Journal of Chemical Physics. 153: 064106 |
| Najibi A, Casanova-Páez M, Goerigk L. (2021) Analysis of Recent BLYP- and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions. The Journal of Physical Chemistry. A. 125: 4026-4035 |
| Mehta N, Fellowes T, White JM, et al. (2021) CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods Describe Chalcogen-Bonding Interactions? Journal of Chemical Theory and Computation |
| Goerigk L, Casanova-Paéz M. (2021) The Trip to the Density Functional Theory Zoo Continues: Making a Case for Time-Dependent Double Hybrids for Excited-State Problems Australian Journal of Chemistry. 74: 3 |
| Najibi A, Goerigk L. (2020) DFT-D4 counterparts of leading meta-generalized-gradient approximation and hybrid density functionals for energetics and geometries. Journal of Computational Chemistry |
| Lonsdale DR, Goerigk L. (2020) The one-electron self-interaction error in 74 density functional approximations: a case study on hydrogenic mono- and dinuclear systems. Physical Chemistry Chemical Physics : Pccp |