Pi Electronic Structure of the Benzene Molecule
作者： J. W. Moskowitz , M. P. Barnett
DOI: 10.1063/1.1734479
关键词: Pi 、 Atomic physics 、 Chemistry 、 Benzene 、 Molecule 、 Molecular physics 、 Molecular orbital 、 Electronic structure 、 Physical and Theoretical Chemistry 、 General Physics and Astronomy
摘要: A configuration‐interaction calculation in a molecular orbital basis has been performed for the benzene molecule. The Goeppert‐Mayer and Sklar core approximation assumed. All three‐ four‐center integrals have accurately computed.
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