A method for inverting curvilinear transformations of relevance in the quantum mechanical Hamiltonian describing n-body systems

J. P. Leroy, R. Wallace, H. Rabitz

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

A considerable practical barrier to the construction of the kinetic energy part of the quantum Hamiltonian describing systems executing large amplitude nuclear motion (curvilinear coordinates) involves analytic of coordinate relationships between old and new coordinates. Direct inversion frequently provides extremely cumbersome (useless) expressions. A procedure satisfying the requirement of the metric tensors is proposed which avoids the problems inherent in direct inversion.

Original languageEnglish (US)
Pages (from-to)89-99
Number of pages11
JournalChemical Physics
Volume165
Issue number1
DOIs
StatePublished - Sep 1 1992

All Science Journal Classification (ASJC) codes

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

Fingerprint Dive into the research topics of 'A method for inverting curvilinear transformations of relevance in the quantum mechanical Hamiltonian describing n-body systems'. Together they form a unique fingerprint.

Cite this