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The LeRoy radius, derived by Robert J. LeRoy, defines the internuclear distance between two atoms at which LeRoy-Bernstein theory (sometimes called near-dissociation theory) becomes valid. LeRoy-Bernstein theory is a semi-classical (WKB) approach for describing vibrational energy levels near the molecular dissociation limit. In this limit, the interaction potential between two atoms can be approximated as , which gives rise to a simple analytical approximation for the vibrational energy levels: : In this expression, is a simple function depending only upon ''n'' and ''C''''n'', and can be identified as an effective vibrational quantum number at dissociation. LeRoy later defined an expression for the radius that approximates a boundary between the region where electron exchange (quantum-mechanical) terms are prominent, and the region where atoms and molecules approximately interact through the laws of classical physics and, thus, LeRoy-Bernstein theory (as independent charge distributions and van der Waals interactions expressible as a power series in the internuclear separation). This radius is defined as :, where ''rA'' and ''rB'' denote the atomic radii of the two atoms. For , the internuclear potential can be reasonably approximated by charge independent atomic distributions, and the vibrational levels can be well described by LeRoy-Bernstein theory. For 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「LeRoy radius」の詳細全文を読む スポンサード リンク
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