화학공학소재연구정보센터
Chemical Physics Letters, Vol.377, No.3-4, 406-412, 2003
The vibrational structure and predissociation lifetimes of I-2(B)-Ne: VSCF-DWB-IOS approximation
Recently new experimental findings on vibrational predissociation dynamics Of I-2(B)-Ne have been reported. VSCF-DWB-IOS approximate method for vibrational predissociation is applied to understand the predissociation dynamics. Using the vibrational self-consistent field (VSCF) method with a modified potential function, we determined the vibrational structure Of I-2(B)-Ne that agrees with experiments very well. Using the distorted-wave Born (DWB) and the infinite-order sudden (IOS) approximations for dissociation process, we have calculated the predissociation lifetimes that are also in good agreement with other theories or experiments. The advantage and limit of the proposed method and the modified potential function are discussed. (C) 2003 Elsevier B.V. All rights reserved.