Results 1 to 10 of about 1,053,365 (324)
Machine learning method for tight-binding Hamiltonian parameterization from ab-initio band structure
npj Computational Materials, 2021 The tight-binding (TB) method is an ideal candidate for determining electronic and transport properties for a large-scale system. It describes the system as real-space Hamiltonian matrices expressed on a manageable number of parameters, leading to ...
Zifeng Wang +5 more
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Short range correlations and the isospin dependence of nuclear correlation functions [PDF]
Physics Letters B, 2018 Pair densities and associated correlation functions provide a critical tool for introducing many-body correlations into a wide-range of effective theories.
R. Cruz-Torres +7 more
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Few-body systems, 2023 Microscopic nuclear theory is based on the tenet that atomic nuclei can be accurately described as collections of point-like nucleons interacting via two- and many-body forces obeying nonrelativistic quantum mechanics—and the concept of the ab initio ...
R. Machleidt
semanticscholar +1 more source
Pharmaceutics, 2023 Technegas was developed in Australia as an imaging radioaerosol in the late 1980s and is now commercialized by Cyclomedica, Pty Ltd. for diagnosing pulmonary embolism (PE).
Isra Khatib, Paul M. Young
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Frozen Cache: Mitigating Filter Effect and Redundancy for Network of Caches
IEEE Access, 2021 Information-Centric Networking (ICN) architecture leverages the network of caches’ idea to bring content closer to consumers to ultimately reduce the load on content servers and prevent unnecessary packet re-transmissions.
Saeid Montazeri Shahtouri +2 more
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Understanding Polaritonic Chemistry from Ab Initio Quantum Electrodynamics [PDF]
Chemical Reviews, 2022 In this review, we present the theoretical foundations and first-principles frameworks to describe quantum matter within quantum electrodynamics (QED) in the low-energy regime, with a focus on polaritonic chemistry.
M. Ruggenthaler, D. Sidler, A. Rubio
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Ab initio predictions link the neutron skin of 208Pb to nuclear forces [PDF]
Nature Physics, 2021 Heavy atomic nuclei have an excess of neutrons over protons, which leads to the formation of a neutron skin whose thickness is sensitive to details of the nuclear force.
Baishan Hu +10 more
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A benchmark dataset for Hydrogen Combustion
Scientific Data, 2022 Measurement(s) ab initio energies and forces of hydrogen combustion Technology Type(s) density functional theory • ab initio molecular dynamics • normal modes Factor Type(s) cartesian ...
Xingyi Guan +12 more
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Reliable crystal structure predictions from first principles
Nature Communications, 2022 Developing theoretical frameworks to predict new polymorphs is highly desirable. Here the authors present an ab initio based force-field approach for crystal structure prediction offering a dramatic computational speed-up over fully ab initio schemes.
Rahul Nikhar, Krzysztof Szalewicz
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Applied Sciences, 2020 This study aims to examine the applicability of nuclear inelastic scattering (NIS) and conventional Mössbauer spectroscopy for calibration of the frequency scale of ab initio calculated phonon density of states (PDOS) of iron ternary chalcogenides.
Airat Kiiamov +9 more
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