A system in a spatially (quasi-)degenerate ground state responds in a qualitatively different way to a change in the external potential. Consequently, the usual method for computing the Fukui function, namely, taking the difference between the electron densities of the N- and N +/- 1 electron...
Consider an electron gas with a density of states given by D(e) = ae2. Here a is a constant. The Fermi energy is eF. a) We first consider the system at zero temperature. Compute the total number of electrons N and the groundstate energy E. Show that the average energy per ele...
How to properly compute the resonance energy within the ab initio valence bond theory: a response to the ZHJVL paperValence bond theoryResonance energyValence bond (VB) theory describes a conjugated system by a set of electron-localized Lewis resonance structures. VB assumes that the magnitude of...
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Hi, I have used ElectronNET.API(9.31.2) and ElectronNET.CLI(0.0.9) to build my .NET CORE (3.1) application. For data saving in application I have used sqlite DB file into project and have added "CopyToOutputDirectory = Always" property a...
{-1}}\)in their capacitively-coupled bioreactor by applying constant potential differences of 14.2 V and 28.4 V respectively. These estimates were obtained with a FE 3D model, using the electrostatics interface to compute the E-Field. The selected set of equations does not take into account ...
摘要: We describe a method for calculating dynamical spin-spin correlation functions in the isotropic and anisotropic antiferromagnetic Heisenberg models. Our method is able to produce results with high accuracy over the full parameter space.关键词: correlation functions integrable spin chains ...
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Nat. Electron. 4, 522–529 (2021). Article Google Scholar Download references Rights and permissions Reprints and permissions About this article Cite this article How the way we compute is changing. Nat Electron 6, 329 (2023). https://doi.org/10.1038/s41928-023-00976-2 Download citation ...
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