1. Population distribution of vibrational levels in the 21 state of NaLi
Nguyen Tien Dung
Faculty of Physics and technology, Vinh university
Vinh, 12/2015

2. Outline Introduction The Radial Schrodinger Equation (RSE)
Population distribution of vibrational levels in the 21 state of NaLi
Conclusion

3. Introduction  NaLi molecule: have electric dipole moment.
 Need to accurately describe spectrum structure NaLi: set of potential energy curves, bounding length, separation energy, vibrational intensity distribution and vibrational energy in the electrical state.v.v.

4. Introduction
Potential energy IPA

5. Introduction
Potential energy IPA

6. Figure 1. Potential energy IPA of NaLi in 21 state.
Introduction
Potential energy IPA
Figure 1. Potential energy IPA of NaLi in 21 state.

7. Figure 2. The barrier of potential energy IPA of NaLi in 21 state.
Introduction
Potential energy IPA
9,3 cm-1
Figure 2. The barrier of potential energy IPA of NaLi in 21 state.

8. The Radial Schrodinger Equation (RSE)
[4] J. W. Cooley. An Improved eigenvalues Corrector Formula for solving the Schrödinger Equation for Central Fields. Math. Comput. XV (1961) 363.

9. Population distribution of vibrational levels in the 21 state of NaLi

10. Population distribution of vibrational levels in the 21 state of NaLi

11. Conclusions
We numerically calculate population distribution of vibrational levels for the 21 of NaLi. Here, we use the potential curve of this state determined experimentally [2] but extrapolate to the dissociation limit by connecting with an analytical model [3]. We then solve numerically the radiant Schrödinger equation with the potential by using the Numerow-Cooley method [4] to calculate population distribution for all vibrational levels in this state.
From potential road IPA obtained, the population distribution of the vibrational state with distance between the two nuclei of atoms were we calculate. For each level of vibration, the population distribution is not uniform and is most concentrated around the left turning point. Through evaluation of the spectral line width, tunneling through the potential barrier of oscillator level v‘ = 16 were observed in some state of rotation.

12. References
[1] H. L. Brion and R. W. Field, The spectra and dynamics of diatomic molecules, Elsevier 2004.
[2] Nguyen Huy Bang, Dinh Xuan Khoa, Nguyen Tien Dung, J. Szczepkowski, W. Jastrzebski, P. Kowalczyk, A. Pashov “Polarization labelling spectroscopy of the D1 state in Na7Li molecule” Chemical Physics Letters (2013.) 586.
[3] H. Hulbert, and J. Hirschfelder. Potential Energy Functions for Diatomic Molecules. J. Chem. Phys. 9 (1941)
[4] J. W. Cooley. An Improved eigenvalues Corrector Formula for solving the Schrödinger Equation for Central Fields. Math. Comput. XV (1961) 363.

13. Thank for your attention!