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Theoretica chimica acta

, Volume 48, Issue 3, pp 257–261 | Cite as

Molecular orbitals for excited states of atoms and molecules

  • Renato Colle
  • Raffaele Montagnani
  • Pierluigi Riani
  • Oriano Salvetti
Original Investigations

Abstract

A method is described for calculating SCF wavefunctions for excited electronic states of atoms and molecules. The orthogonality conditions with the ground state wavefunction and the underlying excited states wavefunctions are introduced in the SCF process in a simplified form.

Key words

Excited states Orthogonality conditions 

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Copyright information

© Springer-Verlag 1978

Authors and Affiliations

  • Renato Colle
    • 1
  • Raffaele Montagnani
    • 1
  • Pierluigi Riani
    • 1
  • Oriano Salvetti
    • 1
  1. 1.Laboratorio di Chimica Quantistica ed Energetica Molecolare del C.N.R.PisaItaly

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