In:
International Journal of Quantum Chemistry, Wiley, Vol. 119, No. 24 ( 2019-12-15)
Abstract:
The laser synthesis of alkaline earth dimers (Be 2 , Mg 2 , Ca 2 , Sr 2 , and Ba 2 ) is investigated by theoretical calculation. Photoassociation based on ab initio calculations is rationalized by Franck‐Condon filtering. The optimal target states of photoassociations have been obtained, which are A 1 ∑ + u state for Be 2 , Mg 2 , and Ca 2 , and are B 1 ∑ + u state for Sr 2 and Ba 2 , corresponding to vibrational transition bands from X 1 ∑ + g to excited state are 0‐1, 0‐7, 0‐10, 0‐13, and 0‐3, respectively. The proposed laser drive transitions to target states are also investigated that range from 350 to 740 nm. By using quantum wave‐packet dynamic methods, we calculated the absorption cross sections of photon energy and yields for the selected states of photoassociation. It show that the most sensitive molecules for quantum selective control of photoassociation are Be 2 and Ba 2 for alkaline earth dimers. These important parameters will provide a feasible scheme for further experimental researches.
Type of Medium:
Online Resource
ISSN:
0020-7608
,
1097-461X
Language:
English
Publisher:
Wiley
Publication Date:
2019
detail.hit.zdb_id:
1475014-4
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