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Jan M L Martin

Showing results (11-20 of 120) with videos related to

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The Journal of Physical Chemistry. A|February 28, 2023
The Importance of Tight f Basis Functions for Heavy p-Block Oxides and Halides: A Parallel With Tight d functions in the Second RowNisha Mehta, Jan M L Martin
Journal of Chemical Theory and Computation|September 13, 2022
Explicitly Correlated Double-Hybrid DFT: A Comprehensive Analysis of the Basis Set Convergence on the GMTKN55 DatabaseNisha Mehta, Jan M L Martin
The Journal of Physical Chemistry Letters|September 30, 2022
Reduced-Scaling Double Hybrid Density Functional Theory with Rapid Basis Set Convergence through Localized Pair Natural Orbital F12Nisha Mehta, Jan M L Martin
Journal of Computational Chemistry|July 19, 2022
Automatic generation of complementary auxiliary basis sets for explicitly correlated methodsEmmanouil Semidalas, Jan M L Martin
The Journal of Chemical Physics|April 3, 2021
Prototypical π-π dimers re-examined by means of high-level CCSDT(Q) composite ab initio methodsAmir Karton, Jan M L Martin
The Journal of Chemical Physics|May 23, 2012
Comment on "Revised electron affinity of SF6 from kinetic data" [J. Chem. Phys. 136, 121102 (2012)]Amir Karton, Jan M L Martin
The Journal of Physical Chemistry Letters|April 13, 2022
Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive BenchmarkGolokesh Santra, Jan M L Martin
Journal of Chemical Theory and Computation|August 4, 2023
Correlation Consistent Basis Sets for Explicitly Correlated Theory: The Transition MetalsEmmanouil Semidalas, Jan M L Martin
Journal of Chemical Theory and Computation|November 17, 2020
Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core-Valence Correlation, and F12 AlternativesEmmanouil Semidalas, Jan M L Martin
Journal of Chemical Theory and Computation|May 28, 2020
Canonical and DLPNO-Based G4(MP2)XK-Inspired Composite Wave Function Methods Parametrized against Large and Chemically Diverse Training Sets: Are They More Accurate and/or Robust than Double-Hybrid DFT?Emmanouil Semidalas, Jan M L Martin
Pageof 12

Showing results (11-20 of 120) with videos related to

Sort By:
Pageof 12
The Journal of Physical Chemistry. A|February 28, 2023
The Importance of Tight f Basis Functions for Heavy p-Block Oxides and Halides: A Parallel With Tight d functions in the Second RowNisha Mehta, Jan M L Martin
Journal of Chemical Theory and Computation|September 13, 2022
Explicitly Correlated Double-Hybrid DFT: A Comprehensive Analysis of the Basis Set Convergence on the GMTKN55 DatabaseNisha Mehta, Jan M L Martin
The Journal of Physical Chemistry Letters|September 30, 2022
Reduced-Scaling Double Hybrid Density Functional Theory with Rapid Basis Set Convergence through Localized Pair Natural Orbital F12Nisha Mehta, Jan M L Martin
Journal of Computational Chemistry|July 19, 2022
Automatic generation of complementary auxiliary basis sets for explicitly correlated methodsEmmanouil Semidalas, Jan M L Martin
The Journal of Chemical Physics|April 3, 2021
Prototypical π-π dimers re-examined by means of high-level CCSDT(Q) composite ab initio methodsAmir Karton, Jan M L Martin
The Journal of Chemical Physics|May 23, 2012
Comment on "Revised electron affinity of SF6 from kinetic data" [J. Chem. Phys. 136, 121102 (2012)]Amir Karton, Jan M L Martin
The Journal of Physical Chemistry Letters|April 13, 2022
Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive BenchmarkGolokesh Santra, Jan M L Martin
Journal of Chemical Theory and Computation|August 4, 2023
Correlation Consistent Basis Sets for Explicitly Correlated Theory: The Transition MetalsEmmanouil Semidalas, Jan M L Martin
Journal of Chemical Theory and Computation|November 17, 2020
Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core-Valence Correlation, and F12 AlternativesEmmanouil Semidalas, Jan M L Martin
Journal of Chemical Theory and Computation|May 28, 2020
Canonical and DLPNO-Based G4(MP2)XK-Inspired Composite Wave Function Methods Parametrized against Large and Chemically Diverse Training Sets: Are They More Accurate and/or Robust than Double-Hybrid DFT?Emmanouil Semidalas, Jan M L Martin
Pageof 12