Continuum Electronic States: The Tiresia Code

A multicenter (LCAO) B-spline basis is described in detail, and its capabilities concerning affording convergent solutions for electronic continuum states and wavepacket propagation are presented. It forms the core of the Tiresia code, which implements static-DFT and TDDFT hamiltonians, as well as s...

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Detalles Bibliográficos
Autores principales: Decleva, Piero, Stener, Mauro, Toffoli, Daniele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8951385/
https://www.ncbi.nlm.nih.gov/pubmed/35335385
http://dx.doi.org/10.3390/molecules27062026

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8951385/
https://www.ncbi.nlm.nih.gov/pubmed/35335385
http://dx.doi.org/10.3390/molecules27062026

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