Diatomic interactions in momentum space. The 1sσg and 2pσ u states of H 2 + system |
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| Authors: | Toshikatsu Koga Mutsuo Morita |
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| Affiliation: | (1) Departments of Industrial Chemistry and of Applied Science for Energy, Muroran Institute of Technology, Muroran, 050 Hokkaido, Japan |
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| Abstract: | The method of momentum electron density for interatomic interactions has been applied to the two lowest σ states of the H 2 + system. For attractive (1sσg) and repulsive (2pσ u ) interactions, the behaviour of momentum density and its effect on the stabilization energy of the system are examined quantitatively. The concept of contraction and expansion of the momentum density is shown to form an important guiding principle in this approach. The origin of covalent bonding is discussed based on the energy partitioning proposed previously. |
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| Keywords: | Momentum electron density H 2 + System |
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