TY - JOUR
T1 - New method on constructing analytic potential function of diatomic molecules
AU - Yu, Changfeng
AU - Wang, Jing
PY - 2008/4
Y1 - 2008/4
N2 - A new method on constructing analytical potential energy functions is presented, and then a relatively universal analytical potential energy function for precisely calculating the spectra of diatomic molecules and ions is derived. Furthermore, six kinds of common potential energy curves containing three main potential curves i.e. steady state, metastable state and repulsive state are obtained from this potential energy function. Finally, spectroscopic parameters of thirteen diatomic molecules and ions including BeD-X 2 ∑ +, BeT-X 2 ∑ + and Na2-X 1 ∑ g + etc are calculated by using the potential function, as a consequence, all calculation results are in good agreement with experimental data.
AB - A new method on constructing analytical potential energy functions is presented, and then a relatively universal analytical potential energy function for precisely calculating the spectra of diatomic molecules and ions is derived. Furthermore, six kinds of common potential energy curves containing three main potential curves i.e. steady state, metastable state and repulsive state are obtained from this potential energy function. Finally, spectroscopic parameters of thirteen diatomic molecules and ions including BeD-X 2 ∑ +, BeT-X 2 ∑ + and Na2-X 1 ∑ g + etc are calculated by using the potential function, as a consequence, all calculation results are in good agreement with experimental data.
KW - Diatomic molecules and ions
KW - Force constants
KW - Phase factor
KW - Potential energy function
KW - Spectroscopic parameters
UR - http://www.scopus.com/inward/record.url?scp=47349090342&partnerID=8YFLogxK
U2 - 10.1007/s11859-008-0216-z
DO - 10.1007/s11859-008-0216-z
M3 - 文章
AN - SCOPUS:47349090342
SN - 1007-1202
VL - 13
SP - 212
EP - 216
JO - Wuhan University Journal of Natural Sciences
JF - Wuhan University Journal of Natural Sciences
IS - 2
ER -