翻訳と辞書 Words near each other ・ Kato Platres ・ Kato Polemidia ・ Kato polyclay ・ Kato Precision Railroad Models ・ Kato Public Charter School ・ Kato Samiko ・ Kato Scholari ・ Kato Serwanga ・ Kato Souli Naval Transmission Facility ・ Kato Station ・ Kato Stefanina ・ Kato surface ・ Kato Svanidze ・ Kato Symi ・ Kato technique ・ Kato theorem ・ Kato Tithorea ・ Kato Vermio ・ Kato Vlasia ・ Kato'aga ・ Kato's conjecture ・ Kato's salamander ・ Kato-chan Ken-chan Gokigen TV ・ KATO-FM ・ Katoa ・ Katoch ・ Katochi ・ Katoen Natie ・ Katoghike Church, Yerevan ・ Katoghike Tsiranavor Church of Avan Dictionary Lists mini英和辞書 mini和英辞書 Webster 1913 Latin-English FOLDOC Wikipedia English ウィキペディア

翻訳と辞書　辞書検索 [ 開発暫定版 ] スポンサード リンク Kato theorem ： ウィキペディア英語版 Kato theorem The Kato theorem, or Kato's cusp condition, is used in computational quantum physics. It states that for generalized Coulomb potentials, the electron density has a cusp at the position of the nuclei, where it satisfies :$Z\_k\; =\; -\; \backslash frac\; \backslash frac\; |\_$ denotes the positions of the nuclei, $Z\_k$ their atomic number and $a\_o\; =\; \backslash left(\; \backslash frac\; \backslash right)^2$ is the Bohr radius. For a Coulombic system one can thus, in principle, read off all information necessary for completely specifying the Hamiltonian directly from examining the density distribution. This is also known as E. Bright Wilson's argument within the framework of density functional theory (DFT). The electron density of the ground state of a molecular system contains cusps at the location of the nuclei, and by identifying these from the total electron density of the system, the positions are thus established. From Kato's theorem, one also obtains the nuclear charge of the nuclei, and thus the external potential is fully defined. Finally, integrating the electron density over space gives the number of electrons, and the (electronic) Hamiltonian is defined. This is valid in a non-relativistic treatment within the Born–Oppenheimer approximation, and assuming point-like nuclei. ==References== 〔 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「Kato theorem」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.