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Journal of Chemical Theory and Computation
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January 4, 2018
Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory
Daniel J Sharpe, Mel Levy, 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
The Journal of Chemical Physics
|
September 11, 2009
Excited state surfaces in density functional theory: a new twist on an old problem
Paul Wiggins, J A Gareth Williams, David J Tozer
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
Journal of Chemical Theory and Computation
|
September 14, 2016
Range-Separation Parameter in Tuned Exchange-Correlation Functionals: Successive Ionizations and the Fukui Function
Jonathan D Gledhill, Frank De Proft, David J Tozer
The Journal of Chemical Physics
|
June 15, 2007
Evaluation of <S2> in density functional theory
Aron J Cohen, David J Tozer, Nicholas C Handy
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
The Journal of Physical Chemistry. A
|
June 26, 2024
On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional Theory
Jack T Taylor, David J Tozer, Basile F E Curchod
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2006
Influence of Coulomb-attenuation on exchange-correlation functional quality
Michael J G Peach, Aron J Cohen, David J Tozer
Journal of Chemical Theory and Computation
|
November 25, 2015
Influence of Triplet Instabilities in TDDFT
Michael J G Peach, Matthew J Williamson, David J Tozer
Page
of 7
Search research articles
Search
Showing results (21-30 of 62) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
January 4, 2018
Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory
Daniel J Sharpe, Mel Levy, 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
The Journal of Chemical Physics
|
September 11, 2009
Excited state surfaces in density functional theory: a new twist on an old problem
Paul Wiggins, J A Gareth Williams, David J Tozer
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
Journal of Chemical Theory and Computation
|
September 14, 2016
Range-Separation Parameter in Tuned Exchange-Correlation Functionals: Successive Ionizations and the Fukui Function
Jonathan D Gledhill, Frank De Proft, David J Tozer
The Journal of Chemical Physics
|
June 15, 2007
Evaluation of <S2> in density functional theory
Aron J Cohen, David J Tozer, Nicholas C Handy
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
The Journal of Physical Chemistry. A
|
June 26, 2024
On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional Theory
Jack T Taylor, David J Tozer, Basile F E Curchod
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2006
Influence of Coulomb-attenuation on exchange-correlation functional quality
Michael J G Peach, Aron J Cohen, David J Tozer
Journal of Chemical Theory and Computation
|
November 25, 2015
Influence of Triplet Instabilities in TDDFT
Michael J G Peach, Matthew J Williamson, David J Tozer
Page
of 7