کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7837100 1504160 2018 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Relativistic spinless energies and thermodynamic properties of sodium dimer molecule
ترجمه فارسی عنوان
انرژی های بی نظیر نسبی و خواص ترمودینامیکی مولکول دیمر سدیم
کلمات کلیدی
پتانسیل مولکولی عمومی، کلاین گوردون، مولکول دیمر سدیم، خواص ترمودینامیکی،
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
چکیده انگلیسی
Relativistic spinless rotational-vibrational energy eigenvalue relation has been obtained by solving the Klein-Gordon equation in the presence of General Molecular potential (GMP). The relativistic energy eigenvalue relation has been reduced to the non-relativistic one in the non-relativistic limit. Relativistic and non-relativistic vibrational energies have been computed for the 51Δg state of Na2 molecule and compared with Rydberg-Klein-Rees (RKR) data. It has been concluded that depending on relation between scalar and vector potentials, relativistic effect can cause a slight decrease in the vibrational energies or can lead to an increase. In addition, thermodynamic properties such as vibrational mean energy U, vibrational specific heat C, vibrational free energy F and vibrational entropy S for Na2(51Δg) molecule have been examined with respect to temperature and the values of principal quantum number.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 513, 24 September 2018, Pages 252-257
نویسندگان
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