Electronic States of Ethylene Molecule

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概要

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• Electronic states of ethylene molecules are discussed according to the LCAO method of molecular orbitals. The molecule is regarded as a system which consists of two 2pπ-electrons in a field of a skeleton. It is assumed that effective charges for 2pπ orbitals are not the same as those for orbitals in the skeleton. Values of the effective charge are determined so as to minimize the energy of each electronic state. The result for excited electronic energy is compared with experiment, and their agreement is found though the observed values are very ambiguous. A relation between LCAO and valence bond methods is discussed.

• 理論物理学刊行会の論文

著者

• Murai Tomokazu

  Department Of Industrial Chemistry Faculty Of Engineering Kyoto University

• MURAI Tomokazu

  Department of Industrial Chemistry, Faculty of Engineering, Kyoto University

関連論文

• Numerical Two-Center Calculations of the Polarizabilities of H^+_2
• Calculation of Heteronuclear Molecular Integrals
• Electronic States of Ethylene Molecule

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