Proceedings of the Symposium on Chemoinformatics
24th Symposium on Chemical Information and Computer Sciences
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Poster Session
Representation of Four-Dimensional Hybridized Atomic Orbital
*Fuyuko KidoHaruo HosoyaSumio Tokita
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Pages JP09

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Abstract

Three-dimensional hybridized atomic orbital wave functions with one s-orbital and three p-orbitals on rectangular coordinate were visualized using isosurface technique of a software called AVS (Application Visualization System). Three-dimensional hybridized atomic orbital visualization results showed normalized orthogonality. Four-dimensional hybridized atomic orbital wave functions with one s-orbital and four p-orbitals were given by normalized orthogonality method. Four-dimensional hybridized atomic orbital wave functions were visualized using projection on three-dimensional space. We obtained the general expressions for D-dimensional hybridized atomic orbital wave functions with one s-orbital and D p-orbitals.

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© 2001 The Chemical Society of Japan
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