Intermolecular interaction energy of CH4 trimer by symmetry-adapted perturbation theory |
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| Authors: | Masanori Tachikawa Kazunari Suzuki Kaoru Iguchi |
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| Affiliation: | (1) Department of Commerce, Faculty of Commerce, Takachiho University, Suginami-ku, 168 Tokyo, Japan;(2) Department of Chemistry, School of Science and Engineering, Waseda University, Shinjuku-ku, 169 Tokyo, Japan |
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| Abstract: | ![]()
The interaction energy for the cyclic CH4 trimer is studied in terms of symmetry-adapted perturbation theory. The interaction energy around the van der Waals minimum is dominated by attractive dispersion energy, and the repulsive contribution at the smaller angle region is due to the first-order exchange energy. The total interaction energy is approximated by additive two-body components, because of a mutual cancellation between nonadditive three-body ones. |
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| Keywords: | CH4 trimer symmetry-adapted perturbation theory nonadditive three-body effect |
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