کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416238 | 1393807 | 2006 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Exact analytical expressions for diatomic rotational and centrifugal distortion constants for a Kratzer-Fues oscillator
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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: Exact analytical expressions for diatomic rotational and centrifugal distortion constants for a Kratzer-Fues oscillator Exact analytical expressions for diatomic rotational and centrifugal distortion constants for a Kratzer-Fues oscillator](/preview/png/5416238.png)
چکیده انگلیسی
The exact closed-form expression for the vibrational-rotational eigenvalues of the Kratzer-Fues oscillator served as the starting point for a derivation of exact analytical expressions for the rotational constant BÏ
, and the set DÏ
to SÏ
of centrifugal distortion constants up to 11th-order. The derivations employed the MAPLE symbolic algebra coprocessor. The expressions for BÏ
to SÏ
were then employed in the calculation of a set of constants for a Kratzer-Fues potential with specified dissociation energy and equilibrium internuclear separation for a hypothetical diatomic molecule with a reduced mass of unity. The tabulated constants serve as a benchmark against which the reliability of various existing or future numerical methods for the determination of rotational and centrifugal distortion constants may be assessed. The near-dissociation behaviour of the calculated constants was also examined and is useful in predicting the behaviour of such constants for real electronic states having pure ionic long-range form.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 235, Issue 1, January 2006, Pages 111-116
Journal: Journal of Molecular Spectroscopy - Volume 235, Issue 1, January 2006, Pages 111-116
نویسندگان
Photos G. Hajigeorgiou,