Savin, A. The electron localization function (ELF) and its relatives: interpretations and difficulties. Journal of Molecular Structure: THEOCHEM 727, 127-131 (2005).Savin A (2005) The electron localization func
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In order to study the bond interactions of doped systems, we conducted the electron localization function (ELF) analysis using the Multiwfn program package40. The ELF is usually interpreted as the probability of finding an electron pair localized in some region of the real space. There are three...
180 and 260 GPa, respectively. Furthermore, the bonding nature of HfH2is investigated with the help of the electron localization function, the difference charge density and Bader charge analyses, which show that HfH2is classified as a ionic crystal with the charges transferring from Hf atom ...
Besides, frontier molecular orbitals (FMO), electron localization function (ELF) and localized orbital locator (LOL) analysis were performed. Energy gap (ΔE), electronegativity (χ), chemical potential (μ), global hardness (η), softness (S), Mulliken population analysis on atomic charges and...
Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit 来自 ui.adsabs.harvard.edu 喜欢 0 阅读量: 33 作者:P Jerabek,B Schuetrumpf,P Schwerdtfeger,W Nazarewicz 摘要: DOI: https://doi.org/10.1103/PhysRevLett.120.053001 关键词: Nuclear Theory ...
The only remarkable change observed was a very slight increase in electron localization for large values of the unit cell parameter when the number of empty states was increased. Changing the exponent of the 1RDMFT power function to 0.5, this corresponding to moving to Müller's functional does,...
Instructions on setting that up can be found in Testing Electron Auto-Update. Good luck 🙃 Local production build the iOS app In order to compile a production iOS build, run npm run ios-build, this will generate a Chat.ipa in the root directory of this project. Local production build ...
AsteroidsWasm - Collection of .NET 8 C# applications consuming a single .NET Standard project running in: Blazor Client (WebAssembly), Blazor Server, Electron (via Blazor Server), WPF, WinForms, MAUI, WinUI 3. Demo. DiabloBlazor - Blazor port of DiabloWeb, making it a double WebAssembly app...
Chung A, Richter WR (1971) Early changes in the exocrine pancreas of the dog and rat after ligation of the pancreatic duct: A light and electron microscopy study. Am J Patol 63:521–546 Google Scholar Claesson MH, Rudolphi A, Kofoed S, Pulsen SS, Reimann J (1996) CD4+ T lymphocytes...