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- W2002306225 abstract "This work presents a systematic multichannel quantum defect theory (MQDT) analysis of the triplet d-symmetry levels of the hydrogen molecule. First, a new compilation of the best available experimental term values for these levels was prepared. Second, R-dependent quantum defect matrices for the 3 Π u , 3 Π g , and 3 Δ g states of H 2 were obtained from ab initio potential-energy curves and used in an ab initio MQDT calculation of all known triplet d-symmetry rovibronic levels of H 2 , HD, and D 2 . For a few of these levels previous ab initio calculations have been reported. The agreement currently obtained is generally significantly better than that in previous work. Finally, the quantum defect matrices are used to calculate the electronic transition moments 3 Π u [Formula: see text] 3 Π g , 3 Δ g as functions of energy and internuclear distance, R, for application in a companion article. PACS Nos: 31.15Ar, 33.20Wr, 34.10+x, 34.80Kw" @default.
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- W2002306225 date "2001-02-01" @default.
- W2002306225 modified "2023-09-29" @default.
- W2002306225 title "Multichannel quantum defect theory treatment of triplet gerade and ungerade<i>d</i>-symmetry levelsof H<sub>2</sub>and its isotopomers" @default.
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- W2002306225 doi "https://doi.org/10.1139/p00-075" @default.
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