We study the vibrational predissociation of the van der Waals molecule Ne . . 12(B3v) by Using a quasiclassical trajectory method. The potential energy surface assumed was a simple sum of pairwise atom-atom interactions. According to approximate quantal calculations, the necessary initial conditions
The vibrational structure and predissociation lifetimes of I2(B)–Ne: VSCF–DWB–IOS approximation
✍ Scribed by Sung-sil Cho; Hosung Sun
- Book ID
- 104108463
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 185 KB
- Volume
- 377
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Recently new experimental findings on vibrational predissociation dynamics of I 2 ðBÞ-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 ðBÞ-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.
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