Cargando…
Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets
[Image: see text] We have recently discussed an algorithm to automatically generate auxiliary basis sets (ABSs) of the standard form for density fitting (DF) or resolution-of-the-identity (RI) calculations in a given atomic orbital basis set (OBS) of any form, such as Gaussian-type orbitals, Slater-...
| Autor principal: | |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10536969/ https://www.ncbi.nlm.nih.gov/pubmed/37661914 http://dx.doi.org/10.1021/acs.jctc.3c00670 |