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翻訳と辞書　辞書検索 [ 開発暫定版 ] スポンサード リンク Slater-type orbital ： ウィキペディア英語版 Slater-type orbital Slater-type orbitals (STOs) are functions used as atomic orbitals in the linear combination of atomic orbitals molecular orbital method. They are named after the physicist John C. Slater, who introduced them in 1930.〔 〕 They possess exponential decay at long range and Kato's cusp condition at short range (when combined as hydrogen-like atom functions, i.e. the analytical solutions of the stationary Schrödinger for one electron atoms). Unlike the hydrogen-like ("hydrogenic") Schrödinger orbitals, STOs have no radial nodes (neither do Gaussian-type orbitals). ==Definition== STOs have the following radial part: : $R(r)\; =\; N\; r^\; e^\backslash ,$ where : ''n'' is a natural number that plays the role of principal quantum number, ''n'' = 1,2,..., : ''N'' is a normalizing constant, : ''r'' is the distance of the electron from the atomic nucleus, and : $\backslash zeta$ is a constant related to the effective charge of the nucleus, the nuclear charge being partly shielded by electrons. Historically, the effective nuclear charge was estimated by Slater's rules. The normalization constant is computed from the integral :$\backslash int\_0^\backslash infty\; x^n\; e^\; dx\; =\; \backslash frace^\backslash right)^2\; r^2\; dr\; =1\; \backslash Longrightarrow\; N\; =\; (2\backslash zeta)^n\; \backslash sqrt\}.$ It is common to use the spherical harmonics $Y\_l^m(\backslash mathbf)$ depending on the polar coordinates of the position vector $\backslash mathbf$ as the angular part of the Slater orbital. 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「Slater-type orbital」の詳細全文を読む スポンサード リンク 翻訳と辞書 : 翻訳のためのインターネットリソース Copyright(C) kotoba.ne.jp 1997-2016. All Rights Reserved.