DocumentCode :
3230917
Title :
A universal analytic potential function applied to diatomic molecules
Author :
Changfeng, Yu ; Zhiwei, Wang
Author_Institution :
Dept. of Phys., Xi´´an Polytech. Univ., Xi´´an, China
fYear :
2011
fDate :
27-29 May 2011
Firstpage :
105
Lastpage :
110
Abstract :
In this paper, a new method on constructing analytical potential energy functions is presented, and from this a analytical potential energy function applied to both neutral diatomic molecules and charged diatomic molecular ions is obtained. This potential energy function includes three dimensionless undetermined parameters which can be determined uniquely by solving linear equations with the experimental spectroscopic parameters of molecules. The solutions of the dimensionless undetermined parameters are real numbers rather than complex numbers, this ensures that the analytical potential energy function has extensive universality. Finally, the potential energy function is examined with four kinds of diatomic molecules or ions homonuclear neutral diatomic molecule H2(X1 Σg+), homonuclear charged diatomic molecular ion, He2+(X2 Σu+) heternuclear neutral diatomic Molecule AlBr(A1Π) and heternuclear charged diatomic Molecular ion BC-(X3Π), as a consequence, good results are obtained.
Keywords :
aluminium compounds; boron compounds; helium ions; hydrogen neutral molecules; molecular force constants; negative ions; positive ions; potential energy functions; AlBr; BC-; H2; He2+; analytical potential energy functions; dimensionless undetermined parameters; extensive universality; heteronuclear charged diatomic molecular ion; heteronuclear neutral diatomic molecule; homonuclear charged diatomic molecular ion; homonuclear neutral diatomic molecule; linear equations; spectroscopic parameters; universal analytic potential function; Helium; Irrigation; diatomic molecules and ions; force constants; phase factor; potential energy function; spectroscopic parameters;
fLanguage :
English
Publisher :
ieee
Conference_Titel :
Communication Software and Networks (ICCSN), 2011 IEEE 3rd International Conference on
Conference_Location :
Xi´an
Print_ISBN :
978-1-61284-485-5
Type :
conf
DOI :
10.1109/ICCSN.2011.6014229
Filename :
6014229
Link To Document :
بازگشت