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Image super-resolution inspired electron density prediction [PDF]
Nature CommunicationsPredicting ground-state electron densities of chemical systems has recently received growing attention in machine learning quantum chemistry, given their fundamental importance as highlighted by the Hohenberg-Kohn theorem.
Chenghan Li +3 more
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Revealing disorder parameter and deformation electron density using electron diffraction [PDF]
Nature CommunicationsLocal disorders of lattice, charge, orbital, and spin perturbate the electron density distribution in materials, profoundly influencing their properties.
Weixiao Lin +9 more
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Quantum Crystallography: Exploring Electron Density and Interactions [PDF]
Structural DynamicsQuantum Crystallography (QC) is an evolving field that integrates quantum mechanics with crystallographic data analysis to achieve a more accurate and detailed description of molecular and solid-state structures.
Sylwia Pawledzio, Xioping Wang
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Ionospheric Electron Density Model by Electron Density Grid Deep Neural Network (EDG-DNN)
Atmosphere, 2023 Electron density (or electron concentration) is a critical metric for characterizing the ionosphere’s mobility. Shortwave technologies, remote sensing systems, and satellite communications—all rely on precise estimations of electron density in the ...
Zhou Chen +6 more
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Auroral E-region electron density gradients measured [PDF]
Annales Geophysicae, 2000 In the theory of E-region plasma instabilities, the ambient electric field and electron density gradient are both included in the same dispersion relation as the key parameters that provide the energy for the generation and growth of electrostatic ...
C. Haldoupis, K. Schlegel, G. Hussey
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Direct imaging of electron density with a scanning transmission electron microscope
Nature Communications, 2023 Recent studies of secondary electron (SE) emission in scanning transmission electron microscopes suggest that material’s properties such as electrical conductivity, connectivity, and work function can be probed with atomic scale resolution using a ...
Ondrej Dyck +8 more
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Pseudopotentials from electron density [PDF]
Physical Review A, 1996 A method is introduced that allows the construction of pseudopotentials in the density-functional theory. This method is based on a procedure worked out by one of the authors [J. Phys. B 26, 43 (1993); Philos. Mag. B 69, 779 (1994)] for determining Kohn-Sham potentials, one-electron orbitals, and energies from the electron density.
, Nagy, , Andrejkovics
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The Comparison of Electron Density between CSES In Situ and Ground-Based Observations in China
Remote Sensing, 2022 As the observation accuracy of parameters in the ionosphere cannot be directly checked, the comparison with other observations is the main way to evaluate the data quality of satellite measurements.
Jing Liu +3 more
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Localizing electron density errors in density functional theory [PDF]
Physical Chemistry Chemical Physics, 2019 The accuracy of different density functional approximations is assessed through the use of quantum chemical topology on molecular electron densities.
Rubén Laplaza +2 more
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Applied Sciences, 2022 The advantages of pulsed low-current high-voltage discharges operated at atmospheric pressure and the ease with which such discharges can be implemented industrially contributed to their popularity. However, the high reactivity of a pulsed plasma implies
Michał Szulc +3 more
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