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.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
H. Nakatsui, Phys.Rev. A 14, 41–50 (1976)
H. Nakatsui, K. Yashuda, Phys. Rev. Lett. 76 1039–1042 (1996)
F. Colmenero, C. Valdemoro, Int. J. Quant. Chem. 62 369 (1994)
T. Juhász, D. A. Mazziotti, J. Chem. Phys. 121/3 1201–1205 (2004)
G. Gidofalvi, D. A. Mazziotti, Phys. Rev. A 69 042511 (2004)
I.Bálint, G.Dezső, I.Gyémánt, Journal of Molecular Structure, THEOCHEM 501–502 125–132 (2000)
I.Bálint, G.Dezső, I.Gyémánt, J.Chem.Inf.Comp.Sci. 41 806–810 (2001)
G.Dezső, I.Bálint, I.Gyémánt, Journal of Molecular Structure, THEOCHEM 542 21–23 (2001)
I.Bálint, G.Dezső, I.Gyémánt, Int.J.Quant.Chem 84(1) 32–38 (2001)
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2006 Springer
About this paper
Cite this paper
DEZSŐ, G., BÁLINT, I., GYÉMÁNT, I. (2006). INEQUALITIES RELATING THE ELEMENTS OF THE SECOND-ORDER REDUCED DENSITY MATRIX. In: JULIEN, JP., MARUANI, J., MAYOU, D., WILSON, S., DELGADO-BARRIO, G. (eds) Recent Advances in the Theory of Chemical and Physical Systems. Progress in Theoretical Chemistry and Physics, vol 15. Springer, Dordrecht. https://doi.org/10.1007/1-4020-4528-X_6
Download citation
DOI: https://doi.org/10.1007/1-4020-4528-X_6
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-4527-1
Online ISBN: 978-1-4020-4528-8
eBook Packages: Chemistry and Materials ScienceChemistry and Material Science (R0)