Advertisement

INEQUALITIES RELATING THE ELEMENTS OF THE SECOND-ORDER REDUCED DENSITY MATRIX

  • G. DEZSŐ
  • I. BÁLINT
  • I. GYÉMÁNT
Conference paper
Part of the Progress in Theoretical Chemistry and Physics book series (PTCP, volume 15)

Abstract

The elements of the second-order reduced density matrix are pointed out to be written exactly as scalar products of specially defined vectors. Our considerations work in an arbitrarily large, but FInite orthonormal basis, and the underlying wave function is a full-CI type wave function. Using basic rules of vector operations, inequalities are formulated without the use of wave function, including only elements of density matrix.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    H. Nakatsui, Phys.Rev. A 14, 41–50 (1976)CrossRefGoogle Scholar
  2. 2.
    H. Nakatsui, K. Yashuda, Phys. Rev. Lett. 76 1039–1042 (1996)CrossRefGoogle Scholar
  3. 3.
    F. Colmenero, C. Valdemoro, Int. J. Quant. Chem. 62 369 (1994)CrossRefGoogle Scholar
  4. 4.
    T. Juhász, D. A. Mazziotti, J. Chem. Phys. 121/3 1201–1205 (2004)CrossRefGoogle Scholar
  5. 5.
    G. Gidofalvi, D. A. Mazziotti, Phys. Rev. A 69 042511 (2004)CrossRefGoogle Scholar
  6. 6.
    I.Bálint, G.Dezső, I.Gyémánt, Journal of Molecular Structure, THEOCHEM 501–502 125–132 (2000)CrossRefGoogle Scholar
  7. 7.
    I.Bálint, G.Dezső, I.Gyémánt, J.Chem.Inf.Comp.Sci. 41 806–810 (2001)CrossRefGoogle Scholar
  8. 8.
    G.Dezső, I.Bálint, I.Gyémánt, Journal of Molecular Structure, THEOCHEM 542 21–23 (2001)CrossRefGoogle Scholar
  9. 9.
    I.Bálint, G.Dezső, I.Gyémánt, Int.J.Quant.Chem 84(1) 32–38 (2001)CrossRefGoogle Scholar

Copyright information

© Springer 2006

Authors and Affiliations

  • G. DEZSŐ
    • 1
    • 2
  • I. BÁLINT
    • 1
    • 2
    • 3
  • I. GYÉMÁNT
    • 1
  1. 1.Department of Theoretical PhysicsUniversity of SzegedSzegedHungary
  2. 2.Department of Technology and Product EngineeringCollege of NyíregyházaNyíregyházaHungary
  3. 3.Department of Pharmaceutical AnalysisUniversity of SzegedSzegedHungary

Personalised recommendations