Physics – Chemical Physics
Scientific paper
2007-06-15
Journal of Physics B: Atomic, Molecular and Optical Physics 40.21 (2007) 4245-4257
Physics
Chemical Physics
18 Pages, 6 Tables, 4 Figures
Scientific paper
10.1088/0953-4075/40/21/011
This is the first in a series of articles in which we study the rotating Morse potential model for diatomic molecules in the tridiagonal J-matrix representation. Here, we compute the bound states energy spectrum by diagonalizing the finite dimensional Hamiltonian matrix of H2, LiH, HCl and CO molecules for arbitrary angular momentum. The calculation was performed using the J-matrix basis that supports a tridiagonal matrix representation for the reference Hamiltonian. Our results for these diatomic molecules have been compared with available numerical data satisfactorily. The proposed method is handy, very efficient, and it enhances accuracy by combining analytic power with a convergent and stable numerical technique.
Abdelmonem M. S.
Alhaidari Abdulaziz D.
Bahlouli Hocine
Nasser I.
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