Application of Modified Smooth Exterior Scaling Method to Study (2)Π(g) N(2)(–) and (2)Π CO(–) Shape Resonances

[Image: see text] The modified smooth exterior scaling (MSES) method is applied for the first time to calculate the energy and the width of the electron-molecule scattering. The isoelectronic (2)Π(g) N(2)(–) and (2)Π CO(–) shape resonances have been studied as a test case for the MSES method. The re...

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Detalles Bibliográficos
Autores principales: Banuary, Mwdansar, Gupta, Ashish Kumar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9948208/
https://www.ncbi.nlm.nih.gov/pubmed/36844516
http://dx.doi.org/10.1021/acsomega.3c00033
Descripción
Sumario:[Image: see text] The modified smooth exterior scaling (MSES) method is applied for the first time to calculate the energy and the width of the electron-molecule scattering. The isoelectronic (2)Π(g) N(2)(–) and (2)Π CO(–) shape resonances have been studied as a test case for the MSES method. The results obtained using this method are in good agreement with experimental results. The conventional smooth exterior scaling (SES) method with different paths has also been applied for comparison purposes.

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