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Journal of Chemical Theory and Computation
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January 3, 2022
Incorporation of the Fermi-Amaldi Term into Direct Energy Kohn-Sham Calculations
Daisy J Dillon, David J Tozer
The Journal of Chemical Physics
|
January 6, 2006
Semiempirical hybrid functional with improved performance in an extensive chemical assessment
Thomas W Keal, David J Tozer
The Journal of Chemical Physics
|
July 28, 2007
Modeling temporary anions in density functional theory: calculation of the Fukui function
David J Tozer, Frank De Proft
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2005
Exchange methods in Kohn-Sham theory
Andrew M Teale, David J Tozer
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2014
Density functional theory and its applications
David J Tozer, Michael J G Peach
Journal of Chemical Theory and Computation
|
November 28, 2015
Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory
Jürgen Plötner, David J Tozer, Andreas Dreuw
The Journal of Physical Chemistry. A
|
September 14, 2012
Overcoming low orbital overlap and triplet instability problems in TDDFT
Michael J G Peach, David J Tozer
Journal of Chemical Theory and Computation
|
November 20, 2015
Molecular Binding in Post-Kohn-Sham Orbital-Free DFT
Alex Borgoo, James A Green, 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
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
Page
of 7
Search research articles
Search
Showing results (11-20 of 62) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
January 3, 2022
Incorporation of the Fermi-Amaldi Term into Direct Energy Kohn-Sham Calculations
Daisy J Dillon, David J Tozer
The Journal of Chemical Physics
|
January 6, 2006
Semiempirical hybrid functional with improved performance in an extensive chemical assessment
Thomas W Keal, David J Tozer
The Journal of Chemical Physics
|
July 28, 2007
Modeling temporary anions in density functional theory: calculation of the Fukui function
David J Tozer, Frank De Proft
Physical Chemistry Chemical Physics : PCCP
|
September 28, 2005
Exchange methods in Kohn-Sham theory
Andrew M Teale, David J Tozer
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2014
Density functional theory and its applications
David J Tozer, Michael J G Peach
Journal of Chemical Theory and Computation
|
November 28, 2015
Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory
Jürgen Plötner, David J Tozer, Andreas Dreuw
The Journal of Physical Chemistry. A
|
September 14, 2012
Overcoming low orbital overlap and triplet instability problems in TDDFT
Michael J G Peach, David J Tozer
Journal of Chemical Theory and Computation
|
November 20, 2015
Molecular Binding in Post-Kohn-Sham Orbital-Free DFT
Alex Borgoo, James A Green, 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
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
Page
of 7