Calculation of Vibrational Intensity Distribution for the 4 1Π ←1 1Σ+ Band System of NaLi
Dung Nguyen Tien, Khoa Dinh Xuan, Trung Le Canh, Bang Nguyen Huy
Faculty of Physics, Vinh University
182 Le Duan Str., Vinh City, Vietnam
Received:
Received: 29 June 2010; accepted: 13 September 2010
DOI: 10.12921/cmst.2010.SI.02.17-20
OAI: oai:lib.psnc.pl:696
Abstract:
In the framework of adiabatic approximation we perform numerical calculations of intensity distribution for the 4 1Π←1 1Σ+ band system of NaLi based on the Franck-Condon (FC) principle. Comparison between the calculated FC factors and the corresponding spectral lines observed recently reveals a good agreement. In addition, the internuclear distances at which the most favorable transitions occurred are caculated.
Key words:
References:
[1] W. Demtröder, Molecular Physics, WILEY 2005.
[2] H. L. Brion and R. W. Field, The spectra and dynamics of diatomic molecules, Elsevier 2004.
[3] C.E. Fellows. The NaLi 11Σ+(X) electronic ground-state dissociation limit. J. Chem. Phys.,94 5855-5864 (1991).
[4] Nguyen Huy Bang, A. Grochola, W. Jastrzębski, P. Kowalczyk. First observation of 31Π and 41Π states of NaLi molecule. Chem. Phys. Lett. 440, 199-202 (2007).
[5] H. Hulbert, J. Hirschfelder, Potential Energy Functions for Diatomic Molecules. J. Chem. Phys. 9, 61-69 (1941).
[6] J.W. Cooley. An Improved eigenvalues Corrector Formula for solving the Schrödinger Equation for Central Fields. Math. Comput. XV, 363 (1961).
In the framework of adiabatic approximation we perform numerical calculations of intensity distribution for the 4 1Π←1 1Σ+ band system of NaLi based on the Franck-Condon (FC) principle. Comparison between the calculated FC factors and the corresponding spectral lines observed recently reveals a good agreement. In addition, the internuclear distances at which the most favorable transitions occurred are caculated.
Key words:
References:
[1] W. Demtröder, Molecular Physics, WILEY 2005.
[2] H. L. Brion and R. W. Field, The spectra and dynamics of diatomic molecules, Elsevier 2004.
[3] C.E. Fellows. The NaLi 11Σ+(X) electronic ground-state dissociation limit. J. Chem. Phys.,94 5855-5864 (1991).
[4] Nguyen Huy Bang, A. Grochola, W. Jastrzębski, P. Kowalczyk. First observation of 31Π and 41Π states of NaLi molecule. Chem. Phys. Lett. 440, 199-202 (2007).
[5] H. Hulbert, J. Hirschfelder, Potential Energy Functions for Diatomic Molecules. J. Chem. Phys. 9, 61-69 (1941).
[6] J.W. Cooley. An Improved eigenvalues Corrector Formula for solving the Schrödinger Equation for Central Fields. Math. Comput. XV, 363 (1961).
