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Selective control of photoassociation of alkaline earth dimers: A theoretical study
Author(s) -
Cheng Junxia,
Zhang Hong,
Cheng Xinlu,
Wu Shenjiang
Publication year - 2019
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26027
Subject(s) - wave packet , excited state , alkaline earth metal , ab initio , atomic physics , chemistry , molecule , laser , quantum , absorption (acoustics) , ab initio quantum chemistry methods , physics , optics , quantum mechanics , alkali metal , organic chemistry
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.