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Journal of Chemical Theory and Computation
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March 16, 2021
Optimizing Molecular Geometries in Strong Magnetic Fields
Tom J P Irons, Grégoire David, Andrew M Teale
Journal of Chemical Theory and Computation
|
March 16, 2021
Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods
Meilani Wibowo, Tom J P Irons, Andrew M Teale
Journal of Chemical Theory and Computation
|
July 11, 2017
Efficient Calculation of Molecular Integrals over London Atomic Orbitals
Tom J P Irons, Jan Zemen, Andrew M Teale
The Journal of Chemical Physics
|
June 1, 2022
Revealing the exotic structure of molecules in strong magnetic fields
Miles J Pemberton, Tom J P Irons, Trygve Helgaker, et al.
The Journal of Physical Chemistry. A
|
December 28, 2020
Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method
Matthew S Ryley, Michael Withnall, Tom J P Irons, et al.
Chemical Science
|
June 3, 2022
Extending conceptual DFT to include external variables: the influence of magnetic fields
Robin Francotte, Tom J P Irons, Andrew M Teale, et al.
Journal of Chemical Theory and Computation
|
April 27, 2016
Exchange-Correlation Functionals via Local Interpolation along the Adiabatic Connection
Stefan Vuckovic, Tom J P Irons, Andreas Savin, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 24, 2017
Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT
Stefan Vuckovic, Tom J P Irons, Lucas O Wagner, et al.
The Journal of Physical Chemistry. A
|
January 28, 2020
Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory
Tom J P Irons, Lucy Spence, Grégoire David, et al.
Journal of Chemical Theory and Computation
|
September 14, 2021
Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches
Grégoire David, Tom J P Irons, Adam E A Fouda, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
March 16, 2021
Optimizing Molecular Geometries in Strong Magnetic Fields
Tom J P Irons, Grégoire David, Andrew M Teale
Journal of Chemical Theory and Computation
|
March 16, 2021
Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods
Meilani Wibowo, Tom J P Irons, Andrew M Teale
Journal of Chemical Theory and Computation
|
July 11, 2017
Efficient Calculation of Molecular Integrals over London Atomic Orbitals
Tom J P Irons, Jan Zemen, Andrew M Teale
The Journal of Chemical Physics
|
June 1, 2022
Revealing the exotic structure of molecules in strong magnetic fields
Miles J Pemberton, Tom J P Irons, Trygve Helgaker, et al.
The Journal of Physical Chemistry. A
|
December 28, 2020
Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method
Matthew S Ryley, Michael Withnall, Tom J P Irons, et al.
Chemical Science
|
June 3, 2022
Extending conceptual DFT to include external variables: the influence of magnetic fields
Robin Francotte, Tom J P Irons, Andrew M Teale, et al.
Journal of Chemical Theory and Computation
|
April 27, 2016
Exchange-Correlation Functionals via Local Interpolation along the Adiabatic Connection
Stefan Vuckovic, Tom J P Irons, Andreas Savin, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 24, 2017
Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT
Stefan Vuckovic, Tom J P Irons, Lucas O Wagner, et al.
The Journal of Physical Chemistry. A
|
January 28, 2020
Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory
Tom J P Irons, Lucy Spence, Grégoire David, et al.
Journal of Chemical Theory and Computation
|
September 14, 2021
Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches
Grégoire David, Tom J P Irons, Adam E A Fouda, et al.
Page
of 2