ArticleJournal of computational chemistry2025
Atomization Energy Calculations in 13-Atom Alkali Metal Clusters: Is There an Appropriate Exchange-Correlation Functional?
Article in Journal of computational chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
1 citing paper in PubMed.
- Atomization Energy Calculations in 13-Atom Alkali Metal Clusters: Is There an Appropriate Exchange-Correlation Functional?Journal of computational chemistry · 2025Article
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Authors and funding
3 authors.
Funding
Abstract
Density functional theory (DFT) is a treatment widely employed for exploring the electronic structure of atoms, molecules, solids, and complex systems. Despite its efficiency and popularity, the accuracy of DFT results is highly dependent on the choice of exchange-correlation (XC) functionals. This study evaluates several XC functionals for calculating atomization energies in 13-atom homo- and heteronuclear alkali metal clusters (X
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Registered trials
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