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Accurate global potential energy surface for the ground state of CH(2)(+) by extrapolation to the complete basis set limit
A full three-dimensional global potential energy surface is reported for the ground state of CH(2)(+) by fitting accurate multireference configuration interaction energies calculated using aug-cc-pVQZ and aug-cc-pV5Z basis sets with extrapolation of the electron correlation energy to the complete ba...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9079815/ https://www.ncbi.nlm.nih.gov/pubmed/35539314 http://dx.doi.org/10.1039/c8ra02228c |