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Journal of Chemical Theory and Computation
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October 1, 2024
Are Exact Exchange-Correlation Potentials Continuous at Atomic Nuclei in Molecules?
Conrad C Moore, Viktor N Staroverov
The Journal of Chemical Physics
|
December 24, 2025
Representation of electron-nucleus cusps in Slater and Gaussian basis sets
Conrad C Moore, Viktor N Staroverov
The Journal of Chemical Physics
|
September 23, 2024
Jump discontinuities of finite-basis-set exchange-correlation potentials at atomic nuclei
Conrad C Moore, Viktor N Staroverov
The Journal of Physical Chemistry. A
|
July 10, 2024
Discontinuities of Kinetic Energy Densities within Finite and Complete Basis Sets
Conrad C Moore, Viktor N Staroverov
The Journal of Physical Chemistry. B
|
April 28, 2023
Using Density Functional Theory for Testing the Robustness of Mobile-Proton Molecular Dynamics Simulations on Electrosprayed Ions: Structural Implications for Gaseous Proteins
Conrad C Moore, Viktor N Staroverov, Lars Konermann
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
October 1, 2024
Are Exact Exchange-Correlation Potentials Continuous at Atomic Nuclei in Molecules?
Conrad C Moore, Viktor N Staroverov
The Journal of Chemical Physics
|
December 24, 2025
Representation of electron-nucleus cusps in Slater and Gaussian basis sets
Conrad C Moore, Viktor N Staroverov
The Journal of Chemical Physics
|
September 23, 2024
Jump discontinuities of finite-basis-set exchange-correlation potentials at atomic nuclei
Conrad C Moore, Viktor N Staroverov
The Journal of Physical Chemistry. A
|
July 10, 2024
Discontinuities of Kinetic Energy Densities within Finite and Complete Basis Sets
Conrad C Moore, Viktor N Staroverov
The Journal of Physical Chemistry. B
|
April 28, 2023
Using Density Functional Theory for Testing the Robustness of Mobile-Proton Molecular Dynamics Simulations on Electrosprayed Ions: Structural Implications for Gaseous Proteins
Conrad C Moore, Viktor N Staroverov, Lars Konermann
Page
of 1