کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5415979 | 1393788 | 2007 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A new approach to obtain the non-Condon factors in closed form for two one-dimensional harmonic oscillators
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A simple algebraic approach to calculate general Franck-Condon overlaps is extended to evaluate non-Condon factors for two one-dimensional harmonic oscillators. The method is based on the use of eigenstates of the harmonic oscillator annihilation operator which allows to obtain in terms of a multi-dimensional Hermite polynomial the overlap of harmonic oscillator functions associated with different Born-Oppenheimer potentials. The presented approach is self-contained, only basic concepts of quantum mechanics associated with the harmonic oscillator system are needed. The obtained expression for the Franck-Condon overlaps is similar to the Ansbacher's formula and equivalent to the one calculated by Malkin and Man'ko. However our final expression has the advantages that only real numbers are involved and it is straightforward to get the limit case of equal frequencies. Concerning the non-Condon factors two approaches leading to different formulas are considered, both of which reduce to triple sums of products of three Hermite polynomials.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 241, Issue 1, January 2007, Pages 51-60
Journal: Journal of Molecular Spectroscopy - Volume 241, Issue 1, January 2007, Pages 51-60
نویسندگان
O. Castaños, R. López-Peña, R. Lemus,