ABOUT QUANTUM THEORY OFMOLECULES
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Poveda, A., Villaveces, J. L., & Moyano, G. E. (2024). ABOUT QUANTUM THEORY OFMOLECULES. Revista De La Academia Colombiana De Ciencias Exactas, Físicas Y Naturales, 22(84), 375–391. https://doi.org/10.18257/raccefyn.22(84).1998.2931

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Abstract

lt is shown that the parts of molecular spectral terms corresponding to electronic motion, nuclear rotational and nuclear vibrational energies may be obtained systematically as members of a power series development on the fourth root of the ratio between the electron mass and the average nuclear mass. Such procedure leads to rotational equations which represent a generalization of the Kramers and Pauli hypotheses (about a top with intrinsic angular momentum). Furthermore, justifications of the Franck and Condon considerations about the band intensities are given. This is shown for diatomic molecules.

https://doi.org/10.18257/raccefyn.22(84).1998.2931

Keywords

Born-Oppenheimer approximation | Spectral terms for molecules | Quantum Theory | Perturbation theory
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References

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Combes, J. M., Duclos, P., & Seller, P. (1980). "The Born-Oppenheimer Approximation." En Rigorous Atomic and Molecular Physics, eds. G. Velo y A. S. Wightman. NATO Series B, vol. 74.

Moyano, G., & Villaveces, J. L. (1998). "Approximation to Wave Functions, Energies, and Energy Derivatives for Molecular Systems Based on Distribution Theory." Int. J. Chem. In Press.

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Sutcliffe, B. T. (1993). "The Coupling of Nuclear and Electronic Motions in Molecules." J. Chem. Soc. Faraday Trans. 89: 2321.

Woolley, R. G. (1991). "Quantum Chemistry Beyond the Born-Oppenheimer Approximation." J. Mol. Struct. (Theochem). 230: 17.

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