TY - JOUR
ID - 517448
TI - Determination of e ω , e e x ω , e B , and e α using potential energy functions for heteronuclear diatomic molecules via spreadsheet program
JO - Journal of the Iranian Chemical Research
JA - JICR
LA - en
SN - 2008-1030
AU - Bagheri, Saleh
AD - Department of Physical & Theoretical Chemistry, Faculty of Chemistry, Islamic Azad University, Tehran
North Branch, Tehran 19936-53171, Iran
Y1 - 2009
PY - 2009
VL - 2
IS - 2
SP - 95
EP - 109
KW - Spectroscopic constants
KW - Potential energy functions
KW - Heteronuclear diatomic
molecules
DO -
N2 - In order to represent the potential energy function over the whole range of R, many potentialenergy functions have been proposed. In the present paper, we employ many potential energyfunctions, to use Numerov method for solving the nuclear Schrödinger equation for the IFmolecule, as an example of a heteronuclear diatomic molecules. Then we determine thespectroscopic constants eω , e e x ω , e B , and eα of the IF molecule from vibrational and vibrationrotationlevels obtained from solution of the nuclear Schrödinger equation. Finally, bycomparison of obtained values with the experimental ones, their accuracy rate is determined aswell as their deviation percentages from experimental values.
UR - http://jicr.iau-arak.ac.ir/article_517448.html
L1 - http://jicr.iau-arak.ac.ir/article_517448_acfe0c261a3d94dc8367d46dc1a29a42.pdf
ER -