The construction and application of a fully flexible computer simulation model for lithium oxide
An aspherical ion model (AIM) is constructed for lithium oxide, Li 2O. The model incorporates both many-body polarization and short-range ion distortion effects. A procedure for extracting the required model parameters by fitting to results from a series of electronic struct...
| Main Authors: | , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2004
|