J2suscep: Calculation of magnetic exchange coupling and temperature dependence of magnetic susceptibility
Item Type:Journal Article
Citation:Tandon, Swetanshu, Schmitt, Wolfgang, Watson, Graeme W., J2suscep: Calculation of magnetic exchange coupling and temperature dependence of magnetic susceptibility, Journal of Open Source Software, 2021
10.21105.joss.02838.pdf (PDF) 343.2Kb
The field of molecular magnetism has attracted significant interest owing to the rising need to miniaturize magnets. Advances in this field require a deep understanding of the electronic structure of magnets, and computational approaches have played a key role in pushing the limits further (Neese, 2009). A deep understanding of the magnetic properties not only helps in making magnets smaller, but has also been instrumental for reasoning about the structure of systems that are difficult to crystallise, and about intermediate states during catalytic processes (Krewald et al., 2016).
Type of material:Journal Article
Series/Report no:Journal of Open Source Software;
Availability:Full text available