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In quantum chemistry, the Dunham expansion is an expression for the rotational-vibrational energy levels of a diatomic molecule: 〔 〕 : where ''v'' and ''J'' are the vibrational and rotational quantum numbers. The constant coefficients are called Dunham parameters with representing the electronic energy. The expression derives from a semiclassical treatment of a perturbational approach to deriving the energy levels. The Dunham parameters are typically calculated by a least-squares fitting procedure of energy levels with the quantum numbers. ==Relation to conventional band spectrum constants== = -D_e | | |- | | | |- | | |- | |- | |} This table adapts the sign conventions from the book of Huber and Herzberg. 〔 〕 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「Dunham expansion」の詳細全文を読む スポンサード リンク
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