Skip to main content
Log in

On the different types of states of a one dimensional system of electrons in the Hartree-Fock method

  • Published:
Theoretical and Experimental Chemistry Aims and scope

Abstract

We consider the different types of ground states of one-dimensional lattice gas of electrons. Interactions between electrons on the same lattice point and on neighboring lattice points are taken into account. The treatment is based on Hartree-Fock approximation for an unbounded system. Regions of the parameter space of the electron-electron interaction are found corresponding to the existence of mixed solutions (i.e., diagonal and nondiagonal long-range order are present stimultaneously). It is shown that the ground state of the system always corresponds to one of the pure types of order (only diagonal or only nondiagonal long-range order) and that diagonal order is present in the ground state. Conditions for the stability of the pure solutions against various perturbations are found.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

Literature cited

  1. A. L. Chugreev and I. A. Misurkin, “Dependence of the phase-transition temperature in quasi one-dimensional conductors on the concentration of defects and pressure,” Fiz. Tverd. Tela, 30, No. 4, 1043–1050 (1988).

    Google Scholar 

  2. A. L. Chugreev and I. A. Misurkin, “Molecular interactions and ferromagnetism in organic polymers,” Zh. Fiz. Khim., 63, No. 1, 135–139 (1989).

    Google Scholar 

  3. D. Jerome and H. J. Schulz, “Organic conductors and superconductors,” Adv. Phys., 31, No. 4, 299–490 (1982).

    Google Scholar 

  4. I. A. Musurkin and A. A. Ovchinnikov, “Electronic structure and properties of polymer molecules with conjugated bonds,” Usp. Khim., 46, No. 10, 1835–1870 (1977).

    Google Scholar 

  5. I. A. Musurkin and A. A. Ovchinnikov, “Effect of the long-range part of the Coulomb repulsion of electrons on the nature of the ground state of polymers with conjugated bonds,” Teor. Éksp. Khim., 15, No. 3, 271–298 (1976).

    Google Scholar 

  6. H. Fukutome and M. Sasai, “Theory of electronic structures and lattice distortions in polyacetylene and inherent Pierls systems. 1. UHF trends for multielectron method adapted to the long-range Coulomb interaction and UHF states in regular bond alternated lattice,” Prog. Theor. Phys., 67, No. 1, 41–67 (1982).

    Google Scholar 

  7. H. Havashi and K. Nasu, “Effect of electron correlation on the ground state, the singlet exciton states and the triplet exciton states of trans-polyacetylene,” Phys. Rev. B32, No. 8, 5295–5302 (1985).

    Google Scholar 

  8. A. Yu. Kon and I. A. Misurkin, “Electronic structure of long polyene chains with the effects of long-range Coulomb interactions and end groups taken into account,” Teor. Eksp. Khim., 22, No. 2, 146–153 (1986).

    Google Scholar 

  9. J. E. Hirsch, “Phase diagram of the one-dimensional molecular crystal model with Coulomb interactions: half-filled band sector,” Phys. Rev., B31. No. 9, 6022–6032 (1985).

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Additional information

Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 25, No. 5, pp. 513–520, September–October, 1989.

The authors thank V. Ya. Krivnov for useful discussions.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Belinskii, A.E., Chugreev, A.L. & Misurkin, I.A. On the different types of states of a one dimensional system of electrons in the Hartree-Fock method. Theor Exp Chem 25, 475–481 (1990). https://doi.org/10.1007/BF00529960

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00529960

Keywords

Navigation