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ACI Avances en Ciencias e Ingenierías

SECCIÓN A: CIENCIAS EXACTAS

Vol. 3 Núm. 1 (2011)

Teoría de defecto cuántico de varios canales y sus aplicaciones en física molecular

DOI
https://doi.org/10.18272/aci.v3i1.53
Enviado
julio 24, 2015

Resumen

El propósito de esta revisión es el de dar una breve introducción a los conceptos básicos de la teoría de defecto cuántico de varios canales (conocida como MQDT por sus siglas en inglés). Los mismos conceptos simples que se utilizan para estudiar niveles atómicos de Rydberg se pueden extender para el tratamiento teórico de sistemas más complicados como son, por ejemplo, las interacciones entre las series de Rydberg moleculares y los continuos de predisociación y preionización. MQDT aprovecha de las similitudes que existen entre las condiciones de contorno de la interación entre el centro iónico y el electrón bajo dos escenarios: cuando están alejados y cuando chocan. Esta información permite entender al detalle las características de los espectros de Rydberg moleculares en ambos dominios, el de frecuencia y tiempo. MQDT sirve de interfaz entre espectros y cálculos ab initio y con esto es posible decodificar problemas que se aproximan en complejidad a los de reactividad química.

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