Vector parametrization of the three-atom problem in quantum mechanics

Gatti, F;Iung, C.;Leforestier, C;Menou, M;Chapuisat, X.;et.al.
(1998) Journal of Molecular Structure: THEOCHEM — Vol. 424, n° 1-2, p. 181-199 (1998)

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Authors
  • Gatti, F
    Author
  • Iung, C.
    Author
  • Leforestier, C
    Author
  • Menou, M
    Author
  • Nauts, AndréUCLouvain
    Author
  • Chapuisat, X.
    Author
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Abstract
It is shown that the geometrical description of a three-atom molecular system by two Jacobi relative position vectors is, within the framework of an adequate representation, particularly advantageous with regard to the criterion of maximal pre-diagonalization of the matrix representing the kinetic energy operator. (C) 1998 Elsevier Science B.V.
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Gatti, F., Iung, C., Leforestier, C., Menou, M., Justum, Y., Nauts, A., & Chapuisat, X. (1998). Vector parametrization of the three-atom problem in quantum mechanics. Journal of Molecular Structure: THEOCHEM, 424(1-2), 181-199. https://doi.org/10.1016/S0166-1280(97)00240-6 (Original work published 1998)