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Title of article :
Parameterized analysis of the ab initio calculation of Pr3+ energy levels
Author/Authors :
C.K. Duan، نويسنده , , M.F. Reid، نويسنده , , S.D. Xia، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Pages :
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Abstract :
The energy levels of Pr3+ ions from various relativistic coupled-cluster calculations and from measurements are studied based on the parametrized semi-empirical Hamiltonian. The results show that a set of energy levels obtained from ab initio calculation may be converted into a set of semi-empirical parameters. Parameter values have advantages because the interpretation of the interaction mechanisms is simpler and they may be easily combined with semi-empirical methods. We propose calculation of parameters by combining relativistic coupled-cluster theory with many body perturbation theory instead of calculation of energy levels directly in future ab initio calculations.
Keywords :
Ab initio calculation , Many body perturbation theory , Rare-earths , energy levels
Journal title :
Journal of Luminescence
Serial Year :
Link To Document :