Quantum kinetic energy operator for a group of particles in terms of scalar basic rotational invariant coordinates derived from a generalized Jacobi vector (GJV) description. III. A metric tensors approach

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

Research output: Contribution to journalArticle

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Abstract

A more compact and standard formulation for the quantum kinetic energy operator of a system of nuclei exercising arbitrary amplitude motion is presented, deriving from a direct transformation from Cartesian centre of mass source coordinates of a set of GJV describing the system to internal and rotational curvilinear coordinates.

Original languageEnglish (US)
Pages (from-to)395-405
Number of pages11
JournalChemical Physics
Volume154
Issue number3
DOIs
StatePublished - Jul 15 1991

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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