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: Takamasa Tsukamoto, Naoki Haruta, Tetsuya Kambe, Akiyoshi Kuzume, Kimihisa Yamamoto
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/e2cce2141eb3484dbe62366d1a09be9c
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