Lars Goerigk

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 4

Top Topics

Gradient Orientation

Approximation Schemes

Convex Functions

Charge Coupled Devices

Top Venues

J. Comput. Chem.

Publications

Amy C. Hancock, Erica Giudici, Lars Goerigk
How do spin-scaled double hybrids designed for excitation energies perform for noncovalent excited-state interactions? An investigation on aromatic excimer models. J. Comput. Chem. 45 (19, July) (2024)
Marcos Casanova-Páez, Lars Goerigk
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". J. Comput. Chem. 42 (8) (2021)
Asim Najibi, Lars Goerigk
DFT-D4 counterparts of leading meta-generalized-gradient approximation and hybrid density functionals for energetics and geometries. J. Comput. Chem. 41 (30) (2020)
Bun Chan, Lars Goerigk, Leo Radom
On the inclusion of post-MP2 contributions to double-Hybrid density functionals. J. Comput. Chem. 37 (2) (2016)
Amir Karton, Lars Goerigk
Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies. J. Comput. Chem. 36 (9) (2015)
Stefan Grimme, Stephan Ehrlich, Lars Goerigk
Effect of the damping function in dispersion corrected density functional theory. J. Comput. Chem. 32 (7) (2011)