Demonstration of C60 molecule TD-NEGF calculation using Zandpack.

Demonstration of C60 molecule TD-NEGF calculation using Zandpack.

Referenced link: https://phys.org/news/2023-03-exploring-bonds-electronic-plutonium-hybrid.html
Discuss on https://discu.eu/q/https://phys.org/news/2023-03-exploring-bonds-electronic-plutonium-hybrid.html
Originally posted by Phys.org / @physorg_com: http://nitter.platypush.tech/physorg_com/status/1640462965529886722#m
Exploring bonds and #electronicstructure in plutonium hybrid materials https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.2c02084 https://phys.org/news/2023-03-exploring-bonds-electronic-plutonium-hybrid.html
Understanding the arrangement of electrons in compounds containing actinide elements, such as uranium and plutonium, can help advance the design of next-generation nuclear materials. These elements are challenging to study due to their complex chemistry and radioactivity. Additionally, these elements, which are in a sequence of related elements called the actinide series, have electrons that are organized in ways that don't match theoretical predictions.