Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7837100 | Chemical Physics | 2018 | 8 Pages |
Abstract
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 51Îg 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(51Îg) molecule have been examined with respect to temperature and the values of principal quantum number.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Zehra Ocak, Hilmi Yanar, Mustafa Salti, Oktay Aydogdu,