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Journal of Chemical Theory and Computation
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April 1, 2024
Consistent Analytical Second Derivatives of the Kohn-Sham DFT Energy in the Framework of the Conductor-Like Screening Model through Gaussian Charge Distributions
Ansgar Pausch
The Journal of Physical Chemistry Letters
|
January 20, 2026
A Linear Response GOSTSHYP/COSMO Framework for Excited States in High Pressure Environments
Ansgar Pausch
The Journal of Physical Chemistry. A
|
June 30, 2025
Gradients of Ground and Excited States for CC2 and ADC(2) in Polarizable Continuum and Atomistic Embeddings within a Generalized PTED Coupling Scheme
Christof Hättig, Ansgar Pausch
The Journal of Chemical Physics
|
April 15, 2025
Novel pseudomomentum-translational sum rule for the molecular Berry curvature
Dominik Steinmetz, Ansgar Pausch
The Journal of Physical Chemistry Letters
|
May 10, 2022
Linear Response of Current-Dependent Density Functional Approximations in Magnetic Fields
Ansgar Pausch, Christof Holzer
Journal of Chemical Theory and Computation
|
May 16, 2022
Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent Density Functional Theory in Finite Magnetic Fields
Ansgar Pausch, Christof Holzer, Wim Klopper
Frontiers in Chemistry
|
December 13, 2021
The GW/BSE Method in Magnetic Fields
Christof Holzer, Ansgar Pausch, Wim Klopper
The Journal of Chemical Physics
|
December 2, 2021
Molecular point groups and symmetry in external magnetic fields
Ansgar Pausch, Melanie Gebele, Wim Klopper
Journal of Chemical Theory and Computation
|
January 17, 2025
An Integral-Direct GOSTSHYP Algorithm for the Computation of High Pressure Effects on Molecular and Electronic Structure
Ansgar Pausch, Felix Zeller, Tim Neudecker
The Journal of Chemical Physics
|
July 12, 2024
Efficient approximate screening techniques for integrals over London atomic orbitals
Simon Blaschke, Stella Stopkowicz, Ansgar Pausch
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
April 1, 2024
Consistent Analytical Second Derivatives of the Kohn-Sham DFT Energy in the Framework of the Conductor-Like Screening Model through Gaussian Charge Distributions
Ansgar Pausch
The Journal of Physical Chemistry Letters
|
January 20, 2026
A Linear Response GOSTSHYP/COSMO Framework for Excited States in High Pressure Environments
Ansgar Pausch
The Journal of Physical Chemistry. A
|
June 30, 2025
Gradients of Ground and Excited States for CC2 and ADC(2) in Polarizable Continuum and Atomistic Embeddings within a Generalized PTED Coupling Scheme
Christof Hättig, Ansgar Pausch
The Journal of Chemical Physics
|
April 15, 2025
Novel pseudomomentum-translational sum rule for the molecular Berry curvature
Dominik Steinmetz, Ansgar Pausch
The Journal of Physical Chemistry Letters
|
May 10, 2022
Linear Response of Current-Dependent Density Functional Approximations in Magnetic Fields
Ansgar Pausch, Christof Holzer
Journal of Chemical Theory and Computation
|
May 16, 2022
Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent Density Functional Theory in Finite Magnetic Fields
Ansgar Pausch, Christof Holzer, Wim Klopper
Frontiers in Chemistry
|
December 13, 2021
The GW/BSE Method in Magnetic Fields
Christof Holzer, Ansgar Pausch, Wim Klopper
The Journal of Chemical Physics
|
December 2, 2021
Molecular point groups and symmetry in external magnetic fields
Ansgar Pausch, Melanie Gebele, Wim Klopper
Journal of Chemical Theory and Computation
|
January 17, 2025
An Integral-Direct GOSTSHYP Algorithm for the Computation of High Pressure Effects on Molecular and Electronic Structure
Ansgar Pausch, Felix Zeller, Tim Neudecker
The Journal of Chemical Physics
|
July 12, 2024
Efficient approximate screening techniques for integrals over London atomic orbitals
Simon Blaschke, Stella Stopkowicz, Ansgar Pausch
Page
of 2