Semi-empirical calculation of potential surface for polyatomic systems |
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| Authors: | Noboru Tanaka |
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| Affiliation: | Hachinohe Institute of Technology, Hachinohe 031, Japan |
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| Abstract: | Potential energy formula of polyatomic systems include many multiple exchange integrals. These multiple exchange integrals can be decomposed into “diatomic” integrals by using the Mulliken approximation. The potential surface can then be calculated numerically. The result of this work applied to the H3 system is presented. |
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