Eigenspace Manipulations

  • Ramon Carbo
  • Josep M. Riera
Part of the Lecture Notes in Chemistry book series (LNC, volume 5)


Although the formal results of this section can have multiple applications, they were originally studied for application to SCF theory, and even in their original form they can be used in the framework of a unique coupling operator formalism.


Hermitean Matrix Secular Equation Coupling Operator Virtual Orbital Orthonormality Condition 
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Suggested Reading

a) Eigenspace Manipulation

  1. S. Huzinaga, C. Arnau; Phys. Rev. A, 1, 1285 (1970).CrossRefGoogle Scholar
  2. S. Huzinaga, C. Arnau; J. Chem. Phys., 54, 1948 (1971).CrossRefGoogle Scholar
  3. C. Arnau, R. Carbo, S. Huzinaga; Intl. J. Quantum Chem., 6, 843 (1972).CrossRefGoogle Scholar
  4. S. Huzinaga, D. McWilliams, A.A. Cantu; Adv. Quantum Chem., 7, 187 (1973).CrossRefGoogle Scholar
  5. R. Carbo; Intl. J. Quantum Chem., 8, 423 (1974).CrossRefGoogle Scholar

b) Convergence in SCF Theory

  1. D.H. Sleeman; Theoret. Chim. Acta, 11, 135 (1968).CrossRefGoogle Scholar

c) Level Shift

  1. V.R. Saunders, I.H. Hillier; Intl. J. Quantum Chem., 7, 699 (1973).CrossRefGoogle Scholar
  2. M.H. Wood, A. Veillard; Mol. Phys., 26, 595 (1973).CrossRefGoogle Scholar
  3. R. Carbo, J.A. Hernandez, F. Sanz; Chem. Phys. Lett., 47, 581 (1977).CrossRefGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1978

Authors and Affiliations

  • Ramon Carbo
    • 1
    • 2
  • Josep M. Riera
    • 3
  1. 1.Division of Theoretical Chemistry, Department of ChemistryUniversity of AlbertaEdmonton, AlbertaCanada
  2. 2.Departamento de Biomatematicas, Facultad de MedicinaUniversidad Autonoma de BarcelonaBellaterraSpain
  3. 3.Centro de Calculo and Seccion de Quimica Cuantica, Departamento de Quimica OrganicaInstituto Quimico de SarriaBarcelona-17Spain

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