Theoretical Study of the Low-Lying Electronic States of CaH
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概要
- 論文の詳細を見る
Ab initio Cl calculations have been carried out for the X"I", A'H, B'l",D'l ", E'll and '31 states of CaH at twelve internuclear distances between 3.0and 8.4 bohr. The calculated co. and B. values for the D"l" state agree fairlywell with the exr>erimental values b>' Grundstr6m but disaxree with the morerecent experimental values by Bell and others. The calculated T. value for theexperimentally unknown ",11 state is 21670 cm-" and it is unlikely that this stateacts as a perturber in the .o=X transition. The potential energy curve of the B'l"state is shown to have two minima.
- 社団法人日本物理学会の論文
- 1981-06-15
著者
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OHNO Kimio
Department of Chemistry, Faculty of Science, Hokkaido University
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Ohno Kimio
Department Of Chemistry Faculty Of Science Hokkaido University
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HONJOU Nobumitsu
Department of Chemistry,Faculty of Science,Hokkaido University
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TAKAGI Mikako
Department of Chemistry,Faculty of Science,Hokkaido University
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MAKITA Mitsugu
Department of Chemistry,Faculty of Science,Hokkaido University
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Takagi Mikako
Department Of Chemistry Faculty Of Science Hokkaido University
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Makita Mitsugu
Department Of Chemistry Faculty Of Science Hokkaido University:tokyo Astronomical Observatory The Un
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Honjou Nobumitsu
Department Of Chemistry Faculty Of Science Hokkaido University
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