Abstract
We consider a molecule consisting of N nuclei with masses m α and charges Z α e, α = 1, 2,..., N, and n electrons, each with the mass m e and charge — e. The molecule is not influenced by external fields. We initially describe each nucleus by means of its Cartesian coordinates (X α , Y α , Z α ) in an axis system rigidly attached to the laboratory frame [a laboratory fixed axis system], and each electron by its coordinates (x i , y i , z i ), i = 1, 2,..., n, in the same axis system, and we denote the set of all Cartesian coordinates for the nuclei (X 1, Y 1, Z 1, X 2, Y 2, Z 2,..., X N , Y N , Z N ) as Rn and the set of all Cartesian coordinates for the electrons, (x 1, y 1, z 1, x 2, y 2, z 2,...x n , y n , z n ) as re.
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Jensen, P. (1992). Calculation of Molecular Rotation-Vibration Energies Directly from the Potential Energy Function. In: Wilson, S., Diercksen, G.H.F. (eds) Methods in Computational Molecular Physics. NATO ASI Series, vol 293. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-7419-4_16
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DOI: https://doi.org/10.1007/978-1-4615-7419-4_16
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