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Published in 2024 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.27523
Abstract: The relativistic Thomas–Fermi model is revisited in the framework of von Weizsacker's kinetic energy functional. This model, already studied by other authors, is optimized by weighting the von Weizsacker functional with a numerical parameter and…
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Keywords:
relativistic thomas;
model;
fermi model;
thomas fermi ... See more keywords
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Published in 2021 at "Engineering With Computers"
DOI: 10.1007/s00366-021-01309-7
Abstract: An efficient numerical algorithm based on the Laguerre wavelets collocation technique for numerical solutions of a class of Thomas–Fermi boundary value problems, which arises in the study the charge densities and potential in many scientific…
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Keywords:
thomas fermi;
laguerre wavelets;
method;
laguerre wavelet ... See more keywords
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Published in 2018 at "Scripta Materialia"
DOI: 10.1016/j.scriptamat.2017.11.002
Abstract: Abstract The interplay between semi-empirical parameters for multi-principle-component alloy (or High-entropy alloy) phase prediction may be partly attributed to deviations in the Miedema mixing enthalpy from quantum principles. Thus, the electron density, n(rws) is investigated…
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Keywords:
fermi dirac;
structural dependency;
electron density;
thomas fermi ... See more keywords
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Published in 2021 at "Nature Materials"
DOI: 10.1038/s41563-021-01121-0
Abstract: Of relevance to energy storage, electrochemistry and catalysis, ionic and dipolar liquids display unexpected behaviours—especially in confinement. Beyond adsorption, over-screening and crowding effects, experiments have highlighted novel phenomena, such as unconventional screening and the impact…
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Keywords:
fermi fluid;
thomas fermi;
electronic screening;
metal ... See more keywords
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Published in 2025 at "Journal of Mathematical Physics"
DOI: 10.1063/5.0264498
Abstract: We bound the number of electrons Q that an atom can bind in excess of neutrality for density functionals generalizing the classical Thomas-Fermi-Weizsäcker functional: instead of the classical power 5/3 more general powers p are…
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Keywords:
weizs cker;
fermi weizs;
excess charge;
thomas fermi ... See more keywords
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Published in 2024 at "Molecular Physics"
DOI: 10.1080/00268976.2024.2365990
Abstract: We study the charge induced in a Thomas–Fermi metal by an ion in vacuum, using an atomistic description employed in constant-potential molecular dynamics simulations, and compare the results with the predictions from continuum electrostatics. Specifically,…
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Keywords:
fermi metal;
metal insights;
metal;
induced charges ... See more keywords
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Published in 2025 at "Inverse Problems"
DOI: 10.1088/1361-6420/ade282
Abstract: We consider the Schrödinger equation with a multipoint potential of the Bethe−Peierls−Thomas−Fermi type. We show that such a potential in dimension d = 2 or d = 3 is uniquely determined by its scattering amplitude at a fixed positive…
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Keywords:
bethe peierls;
multipoint;
type;
peierls thomas ... See more keywords
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Published in 2025 at "Nonlinearity"
DOI: 10.1088/1361-6544/addc2d
Abstract: This paper is concerned with the constraint variational problem of Thomas–Fermi–Dirac–von Weizsäcker theory with the Coulomb potential, which can be described by eD(N):=inf{ED(u): u∈H1(R3,R), ‖u‖L2(R3)2=N}, D>0, where N > 0 denotes the number of electrons, and the energy functional ED(u)…
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Keywords:
energy;
energy limit;
exchange energy;
fermi dirac ... See more keywords
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Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.100.035306
Abstract: Bosonic condensates of exciton polaritons (light-matter quasiparticles in a semiconductor) provide a solid-state platform for studies of non-equilibrium quantum systems with a spontaneous macroscopic coherence. These driven, dissipative condensates typically coexist and interact with an…
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Keywords:
polariton;
thomas fermi;
exciton polariton;
regime ... See more keywords
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Published in 2019 at "International Journal of Modern Physics A"
DOI: 10.1142/s0217751x19410082
Abstract: We describe work being done at Baylor University investigating the possibility of new states of mesonic matter containing two or more quark–antiquark pairs. To put things in context, we begin by describing the lattice approach…
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Keywords:
thomas fermi;
physics;
lattice;
model ... See more keywords