@Article{JAMS-2-3,
author = {Zhang, Chun-Zao and Zhong-Quan, Wang},
title = {Theoretical Study on the Interaction Potential and Bound States of the Ne-Beh Complex},
journal = {Journal of Atomic and Molecular Sciences},
year = {2011},
volume = {2},
number = {3},
pages = {247--254},
abstract = {<p style="text-align: justify;">The first two-dimensional potential energy surface for the Ne-BeH van der Waals interaction is calculated by the single and double excitation coupled-cluster theory with noniterative treatment of triple excitations [CCSD(T)]. Mixed basis sets, aug-cc-pVQZ for the Be, H and Ne atom, with an additional ($3s3p2d1f1g$) set of midbond functions are used. There is a single global minimum at $R_e=6.95 a_0$ and $\theta_e=72.5^\circ$ with well depth -34.43607 $cm^{-1}.$ Based on the potential, the rovibrational energy level structure of the Ne-BeH complex is also investigated.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.102110.111410a},
url = {https://global-sci.com/article/74399/theoretical-study-on-the-interaction-potential-and-bound-states-of-the-ne-beh-complex}
}