The open archive for STFC research publications

You may experience service outages on ePubs over the coming days due to work being carried out to enhance our network infrastructure. The service should be considered at risk from 23/11 - 03/12.

Full Record Details

Persistent URL http://purl.org/net/epubs/work/55345
Record Status Checked
Record Id 55345
Title Self-interaction corrected local spin density calculations of actinides
Abstract We use the self-interaction corrected local spin-density approximation in order to describe localization-delocalization phenomena in the strongly correlated actinide materials. Based on total energy considerations, the methodology enables us to predict the ground-state valency configuration of the actinide ions in these compounds from first principles. Here we review a number of applications, ranging from electronic structure calculations of actinide metals, nitrides and carbides to the behaviour under pressure of intermetallics, and O vacancies in PuO2.
Organisation CSE , STFC
Funding Information
Related Research Object(s):
Licence Information:
Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article IOP Con Ser: Mater Sci Eng 9, no. 1 (2010): 012084. doi:10.1088/1757-899X/9/1/012084 2010