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La aproximación de Born-Oppenheimer.

Alberto Requena, Flavia Romero

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Abstract

A comparative study of adiabatic, diabatic, and Born-Oppenheimer approximation in molecular systems is made. A misthod to reveal the breakdown of the Born-Oppenheimer approximation is examinated and a procedure to determine, from precise experimental data, the charastsristic parameters of the extensión of the breakdown is showed. Finaily the isotopic effect in potencial curve, derived of the inapplicability of the Born-Oppenheimer approximation in some molecules is studied.

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A comparative study of adiabatic, diabatic, and Born-Oppenheimer approximation in molecular systems is made. A misthod to reveal the breakdown of the Born-Oppenheimer approximation is examinated and a procedure to determine, from precise experimental data, the charastsristic parameters of the extensión of the breakdown is showed. Finaily the isotopic effect in potencial curve, derived of the inapplicability of the Born-Oppenheimer approximation in some molecules is studied.

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Available abstract

A comparative study of adiabatic, diabatic, and Born-Oppenheimer approximation in molecular systems is made. A misthod to reveal the breakdown of the Born-Oppenheimer approximation is examinated and a procedure to determine, from precise experimental data, the charastsristic parameters of the extensión of the breakdown is showed. Finaily the isotopic effect in potencial curve, derived of the inapplicability of the Born-Oppenheimer approximation in some molecules is studied.

Key concepts: Born–Oppenheimer approximation, Diabatic, Born approximation, Adiabatic process, Adiabatic theorem, Born–Huang approximation, Physics, Chemistry

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