Periodicity of molecular clusters based on symmetry-adapted orbital model
Prediction of stable clusters based on the jellium model is limited because of the usual assumption of their spherical symmetry. Here the authors propose a symmetry adapted orbital model by quantum chemistry calculations for the prediction of stable clusters with various shapes that obey a certain p...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2019-08-01
|
| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-019-11649-0 |