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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/10119/10839
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| タイトル: | Fast spherical Bessel transform via fast Fourier transform and recurrence formula |
| 著者: | Toyoda, Masayuki
Ozaki, Taisuke |
| キーワード: | Hankel transforms
Spherical Bessel functions
Atomic orbitals |
| 発行日: | 2009-09-30 |
| 出版者: | Elsevier |
| 誌名: | Computer Physics Communications |
| 巻: | 181 |
| 号: | 2 |
| 開始ページ: | 277 |
| 終了ページ: | 282 |
| DOI: | 10.1016/j.cpc.2009.09.020 |
| 抄録: | We propose a new method for the numerical evaluation of the spherical Bessel transform. A formula is derived for the transform by using an integral representation of the spherical Bessel function and by changing the integration variable. The resultant algorithm consists of a set of the Fourier transforms and numerical integrations over a linearly spaced grid of variable k in Fourier space. Because the k-dependence appears in the upper limit of the integration range, the integrations can be performed effectively in a recurrence formula. Several types of atomic orbital functions are transformed with the proposed method to illustrate its accuracy and efficiency, demonstrating its applicability for transforms of general order with high accuracy. |
| Rights: | NOTICE: This is the author's version of a work accepted for publication by Elsevier. Masayuki Toyoda, Taisuke Ozaki, Computer Physics Communications, 181(2), 2009, 277-282, http://dx.doi.org/10.1016/j.cpc.2009.09.020 |
| URI: | http://hdl.handle.net/10119/10839 |
| 資料タイプ: | author |
| 出現コレクション: | z10-10-1. 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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記述 |
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| 16265.pdf | | 462Kb | Adobe PDF | 見る/開く |
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