On Löwdin's method of symmetric orthogonalization

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Abstract

An elementary direct proof was given for the stationarity property of Löwdin's symmetric orthogonalization scheme. Two sets of nonorthogonal but linearly independent basis functions and orthonormalized functions, spanning the same subspace, were considered for the proof. Explicitly different specified variations of the orbitals were also employed with respect to variations of the phase and of the rotation type.

Original languageEnglish
Pages (from-to)63-65
Number of pages3
JournalInternational Journal of Quantum Chemistry
Volume90
Issue number1
DOIs
Publication statusPublished - Oct 5 2002

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Keywords

  • Löwdin's symmetric orthogonalization
  • Löwdin-orthogonalization
  • Stationary property of Löwdin-orthogonalization
  • Stationary property of symmetric orthogonalization
  • Symmetric orthogonalization

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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