A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules

We report a new semi-classical method to compute highly excited rotational energy levels of an asymmetric-top molecule. The method forgoes the idea of a full quantum mechanical treatment of the ro-vibrational motion of the molecule. Instead, it employs a semi-classical Green's function approach...

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Detalles Bibliográficos
Autores principales: Schmiedt, Hanno, Schlemmer, Stephan, Yurchenko, Sergey N., Yachmenev, Andrey, Jensen, Per
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2017
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5315013/
https://www.ncbi.nlm.nih.gov/pubmed/28000807
http://dx.doi.org/10.1039/c6cp05589c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5315013/
https://www.ncbi.nlm.nih.gov/pubmed/28000807
http://dx.doi.org/10.1039/c6cp05589c

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