Ab Initio Configuration Interaction Calculation of the Low-Lying Electronic States of CaH Molecule
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概要
- 論文の詳細を見る
Ab izzitio SCF-Cl calculations have been carried out for the X"l", A"II, B"l",D'l", ",if, 'I"l, 'III and 'Al states of Cal-I at four interzuucJear distances be-tween 3.5 and 4.9 bohr azad their pofeuatial etaergy curves are obtained. Thecalculated spectroscopic paranaeters are found to be i?a fair agreement with theobserved OIICS. Present calculation predicts 011 avoided crossing betweeua theand D'l" B'l" states occttring in the region of 7?=3.9x4.9 bohr.
- 社団法人日本物理学会の論文
- 1980-02-15
著者
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NORO Takeshi
Department of Chemistry, Faculty of Science, Hokkaido University
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Noro Takeshi
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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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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