کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5416189 1393803 2006 17 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Algebraic local vibrational spectroscopic description of formaldehyde
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Algebraic local vibrational spectroscopic description of formaldehyde
چکیده انگلیسی
The spectroscopic description of vibrational excitations of the molecule of formaldehyde is presented in the framework of a local model, where Morse potentials are associated with the stretching and bending modes, while a Pöschl-Teller potential is considered for the out-of-plane mode. An effective Hamiltonian in constructed in terms of tensorial couplings among basic operator units associated with the fundamentals. This approach is equivalent to take a linear approximation for the expansion of the coordinates and momenta in terms of creation and annihilation operators of the Morse (Pöschl-Teller) potential. Most of Darling-Dennison and Fermi-like interactions consistent with the preservation of the polyad are taken into account. These interactions, together with the anharmonic contributions provides a total of 43 interactions, which were considered to carried out a fit of 260 energy states, obtaining an rms deviation of 2.39 cm−1.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 235, Issue 2, February 2006, Pages 218-234
نویسندگان
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