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The Journal of Chemical Physics
|
January 16, 2025
Kohn-Sham inversion for open-shell systems
Jannis Erhard, Egor Trushin, Andreas Görling
The Journal of Chemical Physics
|
June 1, 2022
Numerically stable inversion approach to construct Kohn-Sham potentials for given electron densities within a Gaussian basis set framework
Jannis Erhard, Egor Trushin, Andreas Görling
Physical Review Letters
|
October 15, 2016
Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General Applicability
Jannis Erhard, Patrick Bleiziffer, Andreas Görling
The Journal of Chemical Physics
|
September 22, 2022
Scaled σ-functionals for the Kohn-Sham correlation energy with scaling functions from the homogeneous electron gas
Jannis Erhard, Steffen Fauser, Egor Trushin, et al.
Physical Review Letters
|
February 6, 2025
Accurate Correlation Potentials from the Self-Consistent Random Phase Approximation
Egor Trushin, Steffen Fauser, Andreas Mölkner, et al.
Physical Review Letters
|
July 31, 2025
Trushin et al. Reply
Egor Trushin, Steffen Fauser, Andreas Mölkner, et al.
Faraday Discussions
|
September 16, 2020
Lieb-Oxford bound and pair correlation functions for density-functional methods based on the adiabatic-connection fluctuation-dissipation theorem
Jannis Erhard, Steffen Fauser, Simon Kalaß, et al.
Journal of Chemical Theory and Computation
|
March 11, 2024
Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals
Steffen Fauser, Arno Förster, Leon Redeker, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 24, 2017
Spectroscopic Observation and Molecular Dynamics Simulation of Ga Surface Segregation in Liquid Pd-Ga Alloys
Mathias Grabau, Jannis Erhard, Nicola Taccardi, et al.
The Journal of Physical Chemistry. A
|
February 28, 2025
AtomDB: A Python Library and Database for Atomic and Promolecular Properties
Gabriela Sánchez Díaz, Michelle Richer, Marco Martínez González, et al.
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Search research articles
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Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
January 16, 2025
Kohn-Sham inversion for open-shell systems
Jannis Erhard, Egor Trushin, Andreas Görling
The Journal of Chemical Physics
|
June 1, 2022
Numerically stable inversion approach to construct Kohn-Sham potentials for given electron densities within a Gaussian basis set framework
Jannis Erhard, Egor Trushin, Andreas Görling
Physical Review Letters
|
October 15, 2016
Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General Applicability
Jannis Erhard, Patrick Bleiziffer, Andreas Görling
The Journal of Chemical Physics
|
September 22, 2022
Scaled σ-functionals for the Kohn-Sham correlation energy with scaling functions from the homogeneous electron gas
Jannis Erhard, Steffen Fauser, Egor Trushin, et al.
Physical Review Letters
|
February 6, 2025
Accurate Correlation Potentials from the Self-Consistent Random Phase Approximation
Egor Trushin, Steffen Fauser, Andreas Mölkner, et al.
Physical Review Letters
|
July 31, 2025
Trushin et al. Reply
Egor Trushin, Steffen Fauser, Andreas Mölkner, et al.
Faraday Discussions
|
September 16, 2020
Lieb-Oxford bound and pair correlation functions for density-functional methods based on the adiabatic-connection fluctuation-dissipation theorem
Jannis Erhard, Steffen Fauser, Simon Kalaß, et al.
Journal of Chemical Theory and Computation
|
March 11, 2024
Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals
Steffen Fauser, Arno Förster, Leon Redeker, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 24, 2017
Spectroscopic Observation and Molecular Dynamics Simulation of Ga Surface Segregation in Liquid Pd-Ga Alloys
Mathias Grabau, Jannis Erhard, Nicola Taccardi, et al.
The Journal of Physical Chemistry. A
|
February 28, 2025
AtomDB: A Python Library and Database for Atomic and Promolecular Properties
Gabriela Sánchez Díaz, Michelle Richer, Marco Martínez González, et al.
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of 2