A strategy to derive new internal coordinates by partitioning the internal configuration space according to invariance properties

J. P. Leroy, R. Wallace, Herschel Albert Rabitz

Research output: Contribution to journalArticle

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Abstract

A method to derive optimally orthogonal curvilinear coordinates for N-body systems is proposed. The invariance of certain subspaces under groups of linear transformations is employed to partition the configuration subspace into internal and external components. The construction is initially carried out locally by orthogonalizing typical group invariant vector fields. Integration is performed subsequently by means of integrating factors. Simple examples of orthogonal invariants illustrate the discussion.

Original languageEnglish (US)
Pages (from-to)365-404
Number of pages40
JournalJournal of Mathematical Chemistry
Volume11
Issue number1
DOIs
StatePublished - Dec 1 1992

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Applied Mathematics

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