Unitary perturbation theory: A generalization of two-by-two rotations

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9 Citations (Scopus)

Abstract

A generalization of the two-by-two rotation technique is proposed, permitting a whole row (column) of the matrix to be treated simultaneously. The method is based on the explicit analytical evaluation of the matrix exponent representing a symmetric combination of the individual rotations. Besides constructing the unitary transformation matrices, a new orthogonalization algorithm is also proposed. The resulting "unitary perturbation theory" and orthogonalization method may be useful in different areas.

Original languageEnglish
Pages (from-to)163-166
Number of pages4
JournalTheoretical Chemistry Accounts
Volume104
Issue number2
DOIs
Publication statusPublished - Jun 2000

Keywords

  • Perturbation theory
  • Two-by-two rotations
  • Unitary transformations

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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