Symmetry breaking in linear : A theoreti
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Wenli Zou; Dong Xu; Peter Zajac; Andrew L. Cooksy; Isaac B. Bersuker; Yang Liu;
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Article
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2010
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Elsevier Science
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English
⚖ 613 KB
The four lowest excited states ( 2 P g , 2 P u , 2 R þ u , and 2 R þ g ) of ZnCl þ 2 are calculated using the EOMIP-CCSD method and the spectroscopic constants are reported. It is found that all the states have linear structures, while the 2 P g and 2 R þ u states are noncentrosymmetric with two equ