| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5387039 | Chemical Physics Letters | 2009 | 4 Pages |
Abstract
Identical structures from DFT and DFTÂ +Â U calculations on LuF3 reveal the Lu 4f-F 2p mixing in the former as irrelevant for bonding.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Raghunathan Ramakrishnan, Alexei V. Matveev, Notker Rösch,