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Recursive Computation of Hamiltonian Matrix Elements Using Harmonic Oscillator Eigenfunctions: Application to the Inversion of Ammonia and to the Methyl Torsion + Aldehydic Hydrogen Wagging of Acetaldehyde.

Alfonso NiñoCamelia Muñoz-Caro
Published in: Comput. Chem. (1995)
Keyphrases
  • singular value decomposition
  • linear algebra
  • square root
  • neural network
  • data sets
  • three dimensional
  • steady state
  • laplace transform