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Exact Analytical Form of Diatomic Molecular Orbitals

[Image: see text] We provide the exact analytical form of diatomic molecular orbitals, as given by the solutions of a single-electron diatomic molecule with arbitrary nuclear charges, using our recently developed method for solving Schrödinger equations. We claim that the best representation of the...

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Detalles Bibliográficos
Autores principales: Li, Yunzhi, Li, Chen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9260940/
https://www.ncbi.nlm.nih.gov/pubmed/35811915
http://dx.doi.org/10.1021/acsomega.2c01905