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Hydrogen-Atom Electronic Basis Sets for Multicomponent Quantum Chemistry
[Image: see text] Multicomponent methods are a conceptually simple way to include nuclear quantum effects into quantum chemistry calculations. In multicomponent methods, the electronic molecular orbitals are described using the linear combination of atomic orbitals approximation. This requires the s...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9910068/ https://www.ncbi.nlm.nih.gov/pubmed/36777583 http://dx.doi.org/10.1021/acsomega.2c07782 |