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Recent Advances in Cartesian-Grid DFT in Atoms and Molecules
In the past several decades, density functional theory (DFT) has evolved as a leading player across a dazzling variety of fields, from organic chemistry to condensed matter physics. The simple conceptual framework and computational elegance are the underlying driver for this. This article reviews so...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Frontiers Media S.A.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9354079/ https://www.ncbi.nlm.nih.gov/pubmed/35936092 http://dx.doi.org/10.3389/fchem.2022.926916 |