Vector parametrization of the N-atom problem in quantum mechanics. I. Jacobi vectors
(1998) Journal of Chemical Physics — Vol. 108, n° 21, p. 8804-8820 (1998)
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- Abstract
- Within the framework of an adequate spectral representation, the geometrical description of an N-atom molecular system by n = N - 1 Jacobi relative position vectors is shown to be particularly advantageous with regard to the criterion of prediagonalization of the matrix representing the kinetic energy operator. (C) 1998 American Institute of Physics, [S0021-9606(98)02121-7]
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Gatti, F., Lung, C., Menou, M., Justum, Y., Nauts, A., & Chapuisat, X. (1998). Vector parametrization of the N-atom problem in quantum mechanics. I. Jacobi vectors. Journal of Chemical Physics, 108(21), 8804-8820. https://doi.org/10.1063/1.476327 (Original work published 1998)