کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5376457 | 1504322 | 2007 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Modeling of thermal effects on photo-dissociation dynamics of diatomic molecular ion HCl+
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Modeling of thermal effects on photo-dissociation dynamics of diatomic molecular ion HCl+ Modeling of thermal effects on photo-dissociation dynamics of diatomic molecular ion HCl+](/preview/png/5376457.png)
چکیده انگلیسی
The dynamics of photo-dissociation of a diatomic molecular ion (HCl+) interacting with ultra short infrared laser pulses have been explored at both zero and non-zero temperatures. The potential that we have used for the systems was calibrated with the help of the ab initio theoretical calculation at the CCSD/aug-cc-pVTZ level and then fitted with an appropriate Morse potential. The vibrational eigenvalues and eigenfunctions were obtained by the time-independent Fourier grid Hamiltonian (FGH) method. Then, the time dependent Schrödinger equation is solved by invoking the time dependent FGH method. The changes of photo-dissociation probability of HCl+ have been explored with the variation of the light intensity, and temperature. Our model has been introduced to mimic the medium induced perturbation.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 336, Issues 2â3, 27 July 2007, Pages 103-108
Journal: Chemical Physics - Volume 336, Issues 2â3, 27 July 2007, Pages 103-108
نویسندگان
Ping Lou, Chandan Kumar Mondal, Sunwoo Kang, Kunhye Lee, Kyoung Koo Baeck, Jin Yong Lee,