Algebraic Models in Molecular Spectroscopy

Vibrational Spectra of Copper Tetramesityl Porphyrin using Vibron Model

“…The general calculation procedure of vibrational spectra of metalloporphyrin by Vibron Model discussed here 10,11 . The Hamiltonian for the polyatomic molecules is of the form Here vary from 1 to n for n stretching bonds and (A i, A ij, λ ij ) are algebraic parameters, which are determined by spectroscopic data.…”

A Study of Vibrational Spectra of Fullerene C70and C80: An Algebraic Approach

“…Thus we obtain an effective Hamiltonian operator by applying Lie algebraic techniques that conveniently describes the ro-vibrational degrees of freedom of the physical system [10]. The algebraic methods are formulated in such a way that they contain the same physical information of both ab initio theories (based on the solution of the Schrödinger equation) and of semi-empirical approaches (making use of phenomenological expansions in powers of appropriate quantum numbers).…”

“…Such an approximation comes from the fact that analytical solutions can be achieved only under the constraint that V (r) → ∞ for r → 0. Such a condition is only approximately fulfilled by the Morse potential [10].…”

Highly excited vibrational levels of triatomic molecule N2O: U(4) algebraic model

“…Its elements can be derived using the Winger-Eckart theorem. The nondiagonal elements of matrix of M 12 are [11]:…”