二つの超原子から構成された超原子分子の電子状態

山崎将弥, 堤勇旗, 鳥羽輝晋, 石井知彦, 坂根弦太, 水野正隆

量子化学
Poster-11stn
Superatom is a nanocluster comprised of metal atoms. The formation of strong bonds or closed electronic shells by groups of atoms to an atomic orbital with a different azimuthal quantum number.  So far, we have investigated electronic state calculations on superatom. In this stydy, we calculated the electronic state of superatomic molecule composed two of superatoms, and clarified the characters and the shapes of the superatomic milecular orbitals. In the future, we will cintinue to examine other superatomic models and increase the data makes it possible to compare molecules and superatomic molecules, superatomic molecules to each other, and more precise results can be obtained.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

31

1&2

166

169