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Potential Decomposition in the Multiconfiguration Time-Dependent Hartree Study of the Confined H Atom

  • Dimitrios Skouteris
  • Antonio Laganà
Part of the Lecture Notes in Computer Science book series (LNCS, volume 6784)

Abstract

The Coulomb potential characterising the interaction between an electron and a proton in a spherical cavity has been optimally decomposed into a sum-of-products form, where the products are functions in one degree of freedom. The problem is a six-dimensional one, formulated in the three spherical polar coordinates describing the proton and the three ones describing the electron. As a result, each term in the potential is a product of six functions, one for each coordinate. This reduction of the potential allows the treatment of the problem in a multi-configuration time-dependent Hartree study of the energy levels of the confined H atom.

Keywords

Singular Value Decomposition Spherical Cavity Natural Orbital Orthonormal Vector Natural Potential 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 2011

Authors and Affiliations

  • Dimitrios Skouteris
    • 1
    • 2
  • Antonio Laganà
    • 2
  1. 1.Dipartimento di Matematica e InformaticaUniversità degli Studi di PerugiaItaly
  2. 2.Dipartimento di ChimicaUniversità degli Studi di PerugiaItaly

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