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首页> 外文期刊>journal of chemical physics >Highly excited rovibrational states using a discrete variable representation: The H+3molecular ion
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Highly excited rovibrational states using a discrete variable representation: The H+3molecular ion

机译:Highly excited rovibrational states using a discrete variable representation: The H+3molecular ion

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摘要

A formulation of the rovibrational problem in Jacobi coordinates is presented which employs a discrete variable representation for the angular internal coordinate. Rotational excitation is implemented via a twohyphen;step procedure and symmetry (forAB2systems) included using a computationally efficient method. Energies for the lowest 180 vibrational states of H+3are presented and their wavefunctions analyzed graphically.J=1larr;0 excitation energies are presented for the lowest 41 vibrational states. The significance of the regular states in the highhyphen;energy regime of H+3is discussed.

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