On the cohesive energy and charge density of uranium dioxide

M. S.S. Brooks*, P. J. Kelly

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

31 Citations (Scopus)
2 Downloads (Pure)

Abstract

Self-consistent band structure calculations have been used to calculate the cohesive energy of UO2. The computed cohesive energy was 1.641 Ry/formula unit compared with an experimental value of 1.614 Ry/formula unit. The self consistent charge density has been compared with free atom charge densities to illustrate the formation of bonding charge between the atoms.

Original languageEnglish
Pages (from-to)689-692
Number of pages4
JournalSolid state communications
Volume45
Issue number8
DOIs
Publication statusPublished - 1 Jan 1983
Externally publishedYes

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