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...
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| Autores principales: | , , , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Nature Portfolio
2019
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/e2cce2141eb3484dbe62366d1a09be9c |
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| Sumario: | 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 periodicity. |
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