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Journal of Chemical Theory and Computation
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August 2, 2017
Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling
Tobias Schwabe, Lars Goerigk
Journal 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 Interactions
Lars Goerigk, Stefan Grimme
Journal 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 Goerigk
The Journal of Chemical Physics
|
February 1, 2023
One-electron self-interaction error and its relationship to geometry and higher orbital occupation
Dale R Lonsdale, Lars Goerigk
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2026
The extended "family" of B97-based density functional approximations: a comprehensive overview for DFT users and developers
Ariel C Jones, Lars Goerigk
Journal 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 Energies
Marcos Casanova-Páez, Lars Goerigk
RSC Advances
|
May 6, 2022
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models
Amy C Hancock, Lars Goerigk
RSC Advances
|
December 13, 2023
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models
Amy C Hancock, Lars Goerigk
Journal of Chemical Theory and Computation
|
November 9, 2023
Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set
Dominique A Wappett, Lars Goerigk
Physical Chemistry Chemical Physics : PCCP
|
May 28, 2020
The one-electron self-interaction error in 74 density functional approximations: a case study on hydrogenic mono- and dinuclear systems
Dale R Lonsdale, Lars Goerigk
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of 6
Search research articles
Search
Showing results (11-20 of 57) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
August 2, 2017
Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling
Tobias Schwabe, Lars Goerigk
Journal 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 Interactions
Lars Goerigk, Stefan Grimme
Journal 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 Goerigk
The Journal of Chemical Physics
|
February 1, 2023
One-electron self-interaction error and its relationship to geometry and higher orbital occupation
Dale R Lonsdale, Lars Goerigk
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2026
The extended "family" of B97-based density functional approximations: a comprehensive overview for DFT users and developers
Ariel C Jones, Lars Goerigk
Journal 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 Energies
Marcos Casanova-Páez, Lars Goerigk
RSC Advances
|
May 6, 2022
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models
Amy C Hancock, Lars Goerigk
RSC Advances
|
December 13, 2023
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models
Amy C Hancock, Lars Goerigk
Journal of Chemical Theory and Computation
|
November 9, 2023
Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set
Dominique A Wappett, Lars Goerigk
Physical Chemistry Chemical Physics : PCCP
|
May 28, 2020
The one-electron self-interaction error in 74 density functional approximations: a case study on hydrogenic mono- and dinuclear systems
Dale R Lonsdale, Lars Goerigk
Page
of 6