Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
收藏Most Wiedzy Open Research Data Catalog2026-04-17 收录
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资源简介：
This data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy of the Li2Cs alkali trimer is presented for various angles and distances between free atom and dimer.
提供机构：
Tymon Kilich; Patryk Jasik; Józef Eugeniusz Sienkiewicz; Jan Kozicki
