Ab Initio Static Exchange–Correlation Kernel across Jacob’s Ladder without Functional Derivatives

[Image: see text] The electronic exchange—correlation (XC) kernel constitutes a fundamental input for the estimation of a gamut of properties such as the dielectric characteristics, the thermal and electrical conductivity, or the response to an external perturbation. In this work, we present a forma...

Descripción completa

Detalles Bibliográficos
Autores principales: Moldabekov, Zhandos, Böhme, Maximilian, Vorberger, Jan, Blaschke, David, Dornheim, Tobias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9979610/
https://www.ncbi.nlm.nih.gov/pubmed/36724889
http://dx.doi.org/10.1021/acs.jctc.2c01180

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9979610/
https://www.ncbi.nlm.nih.gov/pubmed/36724889
http://dx.doi.org/10.1021/acs.jctc.2c01180

Ejemplares similares