کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5375370 | 1389321 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of highly excited 1Σ+ and 1Πstates of NaLi and experimental observation of the interacting 51Σ+ and 61Σ+ states
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
Theoretical multireference configuration interaction (MRDCI) calculations on the excited 1Σ+ and 1Î states of NaLi are presented. They improve the results of a previous study by two of the present authors, resolve some differences with other theoretical results and lead to overall good agreement with experimental observations. To extend the experimental data base of electronic states in NaLi, a previously unknown 1Σ+ state is investigated by polarisation labelling spectroscopy. Comparison with accompanying and previous theoretical calculations leads to a conclusion that the observed system consists of two band systems switching smoothly from one adiabatic state to the other and allows assignment of the bands as 51Σ+ â X1Σ+ in the lower energy part and to 61Σ+ â X1Σ+ for higher energies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 362, Issue 3, 28 August 2009, Pages 130-134
Journal: Chemical Physics - Volume 362, Issue 3, 28 August 2009, Pages 130-134
نویسندگان
Ioannis D. Petsalakis, Giannoula Theodorakopoulos, Anna Grochol, Pawel Kowalczyk, WÅodzimierz Jastrzebski,