翻訳と辞書 Words near each other ・ Quantum Break ・ Quantum bus ・ Quantum Byzantine agreement ・ Quantum calculus ・ Quantum capacitance ・ Quantum capacity ・ Quantum Care Limited ・ Quantum carpet ・ Quantum cascade laser ・ Quantum catalyst ・ Quantum Catastrophe ・ Quantum cellular automaton ・ Quantum channel ・ Quantum chaos ・ Quantum chemistry ・ Quantum chemistry composite methods ・ Quantum chromodynamics ・ Quantum circuit ・ Quantum clock ・ Quantum cloning ・ Quantum Cloud ・ Quantum cognition ・ Quantum cohomology ・ Quantum compass ・ Quantum complex network ・ Quantum complexity theory ・ Quantum compression ・ Quantum computing ・ Quantum concentration ・ Quantum configuration space 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 Quantum chemistry composite methods ： ウィキペディア英語版 Quantum chemistry composite methods Quantum chemistry composite methods (also referred to as thermochemical recipes) are computational chemistry methods that aim for high accuracy by combining the results of several calculations. They combine methods with a high level of theory and a small basis set with methods that employ lower levels of theory with larger basis sets. They are commonly used to calculate thermodynamic quantities such as enthalpies of formation, atomization energies, ionization energies and electron affinities. They aim for chemical accuracy which is usually defined as within 1 kcal/mol of the experimental value. The first systematic model chemistry of this type with broad applicability was called Gaussian-1 (G1) introduced by John Pople. This was quickly replaced by the Gaussian-2 (G2) which has been used extensively. The Gaussian-3 (G3) was introduced later. ==Gaussian-n Theories== 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「Quantum chemistry composite methods」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.