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ベンゼン分子の反磁性係数の異方性の計算
Description
The large anisotropy of diamagnetic susceptibility of benzene, which is considered to be due to the free migration of π-electrons, is investigated by the antisymmetrized LCAOMO method.We have included all the cofigurations obtained by excitation of one or two electrons from the lowest configuration, and we have retained all manycenter-integrals.The calculated value of diamagnetic anisotropy is about 50% of the experimental value.The effect of configuration interaction was found to be rather small.
Journal
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- Busseiron Kenkyu
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Busseiron Kenkyu 1954 (70), 68-88, 1954
Editorial Board of Bussei Kenkyu @ Web
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Details 詳細情報について
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- CRID
- 1390001205374326144
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- NII Article ID
- 130004021292
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- ISSN
- 18837808
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- Text Lang
- ja
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- Data Source
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- JaLC
- CiNii Articles
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- Abstract License Flag
- Disallowed
