Accessing Position Space Wave Functions in Band Structure Calculations of Periodic Systems—A Generalized, Adapted Numerov Implementation for One-, Two-, and Three-Dimensional Quantum Problems

[Image: see text] In this work, a generalized, adapted Numerov implementation capable of determining band structures of periodic quantum systems is outlined. Based on the input potential, the presented approach numerically solves the Schrödinger equation in position space at each momentum space poin...

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Detalles Bibliográficos
Autores principales: Gamper, Jakob, Kluibenschedl, Florian, Weiss, Alexander K. H., Hofer, Thomas S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10461292/
https://www.ncbi.nlm.nih.gov/pubmed/37566743
http://dx.doi.org/10.1021/acs.jpclett.3c01707

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10461292/
https://www.ncbi.nlm.nih.gov/pubmed/37566743
http://dx.doi.org/10.1021/acs.jpclett.3c01707

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