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The Journal of Chemical Physics
|
December 22, 2023
Effective homogeneity of Fermi-Amaldi-containing exchange-correlation functionals
David J Tozer
Journal of Chemical Theory and Computation
|
November 20, 2015
Density Scaling of Noninteracting Kinetic Energy Functionals
Alex Borgoo, David J Tozer
The Journal of Physical Chemistry. A
|
May 17, 2012
Negative electron affinities from DFT: influence of asymptotic exchange-correlation potential and effective homogeneity under density scaling
Alex Borgoo, David J Tozer
The Journal of Chemical Physics
|
September 16, 2004
A semiempirical generalized gradient approximation exchange-correlation functional
Thomas W Keal, David J Tozer
Journal of Chemical Theory and Computation
|
November 30, 2018
Simple DFT Scheme for Estimating Negative Electron Affinities
Christopher P Vibert, David J Tozer
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2010
Effect of chemical change on TDDFT accuracy: orbital overlap perspective of the hydrogenation of retinal
Austin D Dwyer, David J Tozer
The Journal of Chemical Physics
|
July 17, 2015
System-dependent exchange-correlation functional with exact asymptotic potential and εHOMO ≈ - I
Jonathan D Gledhill, David J Tozer
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
The Journal of Physical Chemistry. A
|
July 13, 2006
Computation of the hardness and the problem of negative electron affinities in density functional theory
David J Tozer, Frank De Proft
The Journal of Chemical Physics
|
November 4, 2011
Dispersion, static correlation, and delocalisation errors in density functional theory: an electrostatic theorem perspective
Austin D Dwyer, David J Tozer
Page
of 7
Search research articles
Search
Showing results (1-10 of 62) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
December 22, 2023
Effective homogeneity of Fermi-Amaldi-containing exchange-correlation functionals
David J Tozer
Journal of Chemical Theory and Computation
|
November 20, 2015
Density Scaling of Noninteracting Kinetic Energy Functionals
Alex Borgoo, David J Tozer
The Journal of Physical Chemistry. A
|
May 17, 2012
Negative electron affinities from DFT: influence of asymptotic exchange-correlation potential and effective homogeneity under density scaling
Alex Borgoo, David J Tozer
The Journal of Chemical Physics
|
September 16, 2004
A semiempirical generalized gradient approximation exchange-correlation functional
Thomas W Keal, David J Tozer
Journal of Chemical Theory and Computation
|
November 30, 2018
Simple DFT Scheme for Estimating Negative Electron Affinities
Christopher P Vibert, David J Tozer
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2010
Effect of chemical change on TDDFT accuracy: orbital overlap perspective of the hydrogenation of retinal
Austin D Dwyer, David J Tozer
The Journal of Chemical Physics
|
July 17, 2015
System-dependent exchange-correlation functional with exact asymptotic potential and εHOMO ≈ - I
Jonathan D Gledhill, David J Tozer
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
The Journal of Physical Chemistry. A
|
July 13, 2006
Computation of the hardness and the problem of negative electron affinities in density functional theory
David J Tozer, Frank De Proft
The Journal of Chemical Physics
|
November 4, 2011
Dispersion, static correlation, and delocalisation errors in density functional theory: an electrostatic theorem perspective
Austin D Dwyer, David J Tozer
Page
of 7