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The Journal of Chemical Physics
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March 3, 2005
Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theory
Andrew M Teale, David J Tozer
Journal of Chemical Theory and Computation
|
September 7, 2022
Topological Analysis of Functions on Arbitrary Grids: Applications to Quantum Chemistry
Michael J Hutcheon, Andrew M Teale
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2005
Exchange methods in Kohn-Sham theory
Andrew M Teale, David J Tozer
The Journal of Chemical Physics
|
January 28, 2012
Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scaling
Alex Borgoo, Andrew M Teale, David J Tozer
Physical Chemistry Chemical Physics : PCCP
|
April 9, 2014
Revisiting the density scaling of the non-interacting kinetic energy
Alex Borgoo, Andrew M Teale, David J Tozer
Journal of Chemical Theory and Computation
|
December 3, 2015
Rotational g Tensors Calculated Using Hybrid Exchange-Correlation Functionals with the Optimized Effective Potential Approach
Andrew M Teale, Trygve Helgaker, David J Tozer
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
|
August 7, 2008
Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity
Andrew M Teale, Frank De Proft, David J Tozer
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
The Journal of Chemical Physics
|
March 3, 2007
Transition metal NMR chemical shifts from optimized effective potentials
Andrew M Teale, Aron J Cohen, David J Tozer
Page
of 5
Search research articles
Search
Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
March 3, 2005
Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theory
Andrew M Teale, David J Tozer
Journal of Chemical Theory and Computation
|
September 7, 2022
Topological Analysis of Functions on Arbitrary Grids: Applications to Quantum Chemistry
Michael J Hutcheon, Andrew M Teale
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2005
Exchange methods in Kohn-Sham theory
Andrew M Teale, David J Tozer
The Journal of Chemical Physics
|
January 28, 2012
Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scaling
Alex Borgoo, Andrew M Teale, David J Tozer
Physical Chemistry Chemical Physics : PCCP
|
April 9, 2014
Revisiting the density scaling of the non-interacting kinetic energy
Alex Borgoo, Andrew M Teale, David J Tozer
Journal of Chemical Theory and Computation
|
December 3, 2015
Rotational g Tensors Calculated Using Hybrid Exchange-Correlation Functionals with the Optimized Effective Potential Approach
Andrew M Teale, Trygve Helgaker, David J Tozer
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
|
August 7, 2008
Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity
Andrew M Teale, Frank De Proft, David J Tozer
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
The Journal of Chemical Physics
|
March 3, 2007
Transition metal NMR chemical shifts from optimized effective potentials
Andrew M Teale, Aron J Cohen, David J Tozer
Page
of 5