On the origin of the asymmetric shape of the HCl photodissociation cross section
作者： Johan A. Schmidt , Matthew S. Johnson , Mette M.-L. Grage , Gunnar Nyman
DOI: 10.1016/J.CPLETT.2009.09.014
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摘要: Abstract A first principles treatment of the photodissociation HCl and DCl from 50 000 cm −1 to 75 000 cm is presented. The correctly reproduce asymmetric absorption profile observed for HCl. theoretical model presented in this study considers a dissociation process that occurs on repulsive electronic state (A 1 Π) coupled bound (C Π). asymmetry cross section arises because radial coupling introduced by rotation-free nuclear kinetic energy operator.
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