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このアイテムの引用には次の識別子を使用してください:
http://hdl.handle.net/10119/12144
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| タイトル: | Anomalous nonadditive dispersion interactions in systems of three one-dimensional wires |
| 著者: | Misquitta, Alston J.
Maezono, Ryo
Drummond, Neil D.
Stone, Anthony J.
Needs, Richard J. |
| キーワード: | Quantum Monte Carlo
Diffusion Monte Carlo
Dispersion interaction
SAPT
Non-additive contribution |
| 発行日: | 2014-01-29 |
| 出版者: | American Physical Society |
| 誌名: | Physical Review B |
| 巻: | 89 |
| 号: | 4 |
| 開始ページ: | 045140-1 |
| 終了ページ: | 045140-9 |
| 抄録: | The nonadditive dispersion contribution to the binding energy of three one-dimensional (1D) wires is investigated using wires modeled by (i) chains of hydrogen atoms and (ii) homogeneous electron gases. We demonstrate that the nonadditive dispersion contribution to the binding energy is significantly enhanced compared with that expected from Axilrod-Teller-Muto–type triple-dipole summations and follows a different power-law decay with separation. The triwire nonadditive dispersion for 1D electron gases scales according to the power law d^<−β>, where d is the wire separation, with exponents β(r_s) smaller than 3 and slightly increasing with rs from 2.4 at r_s=1 to 2.9 at r_s=10, where r_s is the density parameter of the 1D electron gas. This is in good agreement with the exponent β=3 suggested by the leading-order charge-flow contribution to the triwire nonadditivity, and is a significantly slower decay than the ∼d^<−7> behavior that would be expected from triple-dipole summations. |
| Rights: | Alston J. Misquitta, Ryo Maezono, Neil D. Drummond, Anthony J. Stone, and Richard J. Needs, Physical Review B, 89(4), 2014, 045140-1-045140-9. Copyright 2014 by the American Physical Society. |
| URI: | http://hdl.handle.net/10119/12144 |
| 資料タイプ: | publisher |
| 出現コレクション: | b10-1. 雑誌掲載論文 (Journal Articles)
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このアイテムのファイル:
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| 20315.pdf | | 490Kb | Adobe PDF | 見る/開く |
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