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...

Descripción completa

Detalles Bibliográficos
Autores principales: Samsonova, Irina, Tucker, Gabrielle B., Alaal, Naresh, Brorsen, Kurt R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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

Internet

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

Ejemplares similares