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The Journal of Physical Chemistry. A
|
September 8, 2009
Implementation of a hybrid DFT method for calculating NMR shieldings using Slater-type orbitals with spin-orbital coupling included. Applications to 187Os, 195Pt, and 13C in heavy-metal complexes
Mykhaylo Krykunov, Tom Ziegler, Erik van Lenthe
Journal of Chemical Theory and Computation
|
August 18, 2023
Two-Component <i>GW</i> Calculations: Cubic Scaling Implementation and Comparison of Vertex-Corrected and Partially Self-Consistent <i>GW</i> Variants
Arno Förster, Erik van Lenthe, Edoardo Spadetto, et al.
Journal of Chemical Theory and Computation
|
January 14, 2020
A Quadratic Pair Atomic Resolution of the Identity Based SOS-AO-MP2 Algorithm Using Slater Type Orbitals
Arno Förster, Mirko Franchini, Erik van Lenthe, et al.
The Journal of Chemical Physics
|
May 16, 2016
Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states
Robert Rüger, Erik van Lenthe, Thomas Heine, et al.
The Journal of Chemical Physics
|
May 26, 2007
Electronic spectrum of UO2(2+) and [UO2Cl4]2- calculated with time-dependent density functional theory
Kristine Pierloot, Els van Besien, Erik van Lenthe, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Accurate Coulomb Potentials for Periodic and Molecular Systems through Density Fitting
Mirko Franchini, Pierre Herman Theodoor Philipsen, Erik van Lenthe, et al.
The Journal of Chemical Physics
|
November 17, 2016
Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding
Robert Rüger, Thomas Niehaus, Erik van Lenthe, et al.
Journal of Computational Chemistry
|
April 7, 2004
Even-tempered Slater-type orbitals revisited: from hydrogen to krypton
Delano P Chong, Erik van Lenthe, Stan Van Gisbergen, et al.
Journal of Chemical Theory and Computation
|
June 9, 2017
Correction to Efficient Calculation of Electronic Absorption Spectra by Means of Intensity-Selected Time-Dependent Density Functional Tight Binding
Robert Rüger, Erik van Lenthe, You Lu, et al.
The Journal of Chemical Physics
|
June 11, 2005
The calculation of excitation energies based on the relativistic two-component zeroth-order regular approximation and time-dependent density-functional with full use of symmetry
Fan Wang, Tom Ziegler, Erik van Lenthe, et al.
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Search research articles
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Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
September 8, 2009
Implementation of a hybrid DFT method for calculating NMR shieldings using Slater-type orbitals with spin-orbital coupling included. Applications to 187Os, 195Pt, and 13C in heavy-metal complexes
Mykhaylo Krykunov, Tom Ziegler, Erik van Lenthe
Journal of Chemical Theory and Computation
|
August 18, 2023
Two-Component <i>GW</i> Calculations: Cubic Scaling Implementation and Comparison of Vertex-Corrected and Partially Self-Consistent <i>GW</i> Variants
Arno Förster, Erik van Lenthe, Edoardo Spadetto, et al.
Journal of Chemical Theory and Computation
|
January 14, 2020
A Quadratic Pair Atomic Resolution of the Identity Based SOS-AO-MP2 Algorithm Using Slater Type Orbitals
Arno Förster, Mirko Franchini, Erik van Lenthe, et al.
The Journal of Chemical Physics
|
May 16, 2016
Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states
Robert Rüger, Erik van Lenthe, Thomas Heine, et al.
The Journal of Chemical Physics
|
May 26, 2007
Electronic spectrum of UO2(2+) and [UO2Cl4]2- calculated with time-dependent density functional theory
Kristine Pierloot, Els van Besien, Erik van Lenthe, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Accurate Coulomb Potentials for Periodic and Molecular Systems through Density Fitting
Mirko Franchini, Pierre Herman Theodoor Philipsen, Erik van Lenthe, et al.
The Journal of Chemical Physics
|
November 17, 2016
Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding
Robert Rüger, Thomas Niehaus, Erik van Lenthe, et al.
Journal of Computational Chemistry
|
April 7, 2004
Even-tempered Slater-type orbitals revisited: from hydrogen to krypton
Delano P Chong, Erik van Lenthe, Stan Van Gisbergen, et al.
Journal of Chemical Theory and Computation
|
June 9, 2017
Correction to Efficient Calculation of Electronic Absorption Spectra by Means of Intensity-Selected Time-Dependent Density Functional Tight Binding
Robert Rüger, Erik van Lenthe, You Lu, et al.
The Journal of Chemical Physics
|
June 11, 2005
The calculation of excitation energies based on the relativistic two-component zeroth-order regular approximation and time-dependent density-functional with full use of symmetry
Fan Wang, Tom Ziegler, Erik van Lenthe, et al.
Page
of 2