Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Journal of the Physical Society of Japan

Three-Body Problem in the One-Dimensional Hubbard Model

Jun-ichi Igarashi

Published Jan 15, 1985• 39 citations
Publisher

Abstract

Electron correlation is studied in the special case of a single reversed spin in an otherwise fully aligned band in the one-dimensional Hubbard model for the purpose of examining our previous theory which exactly takes account of the three-body correlation. The importance of the three-body correlation is demonstrated through a comparison of our results with those of exact theories. The ground-state energy and the single particle spectra are in good agreement with McGuire-Lieb-Wu's exact solution and also with exact numerical solutions for finite size systems over a wide range of the intraatomic Coulomb integral and the electron number. The properties of the ground state are studied in detail through the calculation of pair correlation functions.

DOI
10.1143/jpsj.54.260

Related papers

Ground state of the one-dimensional half-filled Hubbard model

N. I. Chashchin

We investigate the ground state (T = 0 K) of the one-dimensional symmetrical (n = 1) Hubbard model formalized in terms of the system of integral equations, which we previously obtained using the method of the generating functional of Green’s functions with the subsequent Legendre transformation. In a wide range of variations in the parameter of Coulomb interaction U, the following characteristics of the system have been calculated: the electron density of states, the electron band spectrum, the number of doubly occupied lattice sites, the localized magnetic moment, the correlator of the square of the longitudinal component of spin at a site,<S Z 2>, and the internal energy of the system. It has been shown that, for all U > 0, the model yields two solutions, i.e., an antiferromagnetic insulator and a paramagnetic insulator, in which there are no single-electron quasi-particles at the Fermi level. The energy of the paramagnetic solution in the region of U < 1.1 is considerably less than that of the antiferromagnetic solution for the case of U > 1.1, we have the opposite situation.

The Physics of Metals and Metallography•Jul 1, 2016•0 citations

Interaction-energy functional for lattice density functional theory: Applications to one-, two-, and three-dimensional Hubbard models

Román López-Sandoval, G. M. Pastor

The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix ${\ensuremath{\gamma}}_{\mathrm{ij}}$ with respect to the lattice sites is considered as the basic variable of the many-body problem. A new approximation to the interaction-energy functional $W[\ensuremath{\gamma}]$ is proposed which is based on its scaling properties and which recovers exactly the limit of strong electron correlations at half-band filling. In this way, a more accurate description of W is obtained throughout the domain of representability of ${\ensuremath{\gamma}}_{\mathrm{ij}},$ including the crossover from weak to strong correlations. As examples of applications results are given for the ground-state energy, charge-excitation gap, and charge susceptibility of the Hubbard model in one-, two-, and three-dimensional lattices. The performance of the method is demonstrated by comparison with available exact solutions, with numerical calculations, and with LDFT using a simpler dimer ansatz for W. Goals and limitations of the different approximations are discussed.

arXiv:cond-mat/0311470•Physical Review B•Feb 13, 2004•29 citations

Solution of the one-dimensional Hubbard model for arbitrary electron density and largeU

J. M. P. Carmelo, D. Baeriswyl

The one-dimensional Hubbard model is studied for general electron densities and large U. On the basis of the coupled integral equations of Lieb and Wu exact asymptotic expansions are derived to fifth order in ${U}^{\mathrm{\ensuremath{-}}1}$ for the ground-state energy, the kinetic energy, and the number of doubly occupied sites. A closed-form expression for the distribution functions of charge and spin degrees of freedom is proposed which yields the same large-U expansion as that derived directly from the Lieb-Wu equations. Our analytical results are in excellent agreement with previous numerical studies.

Physical review. B, Condensed matter•May 1, 1988•77 citations

Three-Body Problem and Resonant Photoemission in Insulators and Semiconductors

Jun-ichi Igarashi

Three-body problem involving two valence holes and a single conduction electron, which appears in the study of the final state of the resonant photoemission in insulators and semiconductors, is formulated to be solved exactly in a two-band Hubbard model by use of Faddeev's scattering theory. The wave functions and energy eigenvalues are calculated numerically in a one-dimensional model. By use of this exact solution of the three-body problem, resonance photoemission spectra are studied from a weak correlation resion to a strong one. It is shown that the approximation used in the past analysis, in which two valence holes are assumed to be localized, deviates from the present results even in the strong correlation region U v v ∼2 W v with U v v and W v denoting the Coulomb integral and the band width of valence holes, respectively.

Journal of the Physical Society of Japan•Jul 15, 1985•19 citations

Electron Correlation in Narrow Energy Bands. II. One Reversed Spin in an Otherwise Fully Aligned Narrow S Band

Laura M. Roth

In a previous paper, a new Green's-function decoupling scheme was applied to the Hubbard Hamiltonian, and an improved version of Hubbard's first approximation was obtained. That result did not reduce to the correct low-density limit as obtained by Kanamori. In the present article, the theory is improved for the special case of a single reversed spin in an otherwise fully aligned band, and the improved theory is correct in the low-density limit. Numerical results are presented for the simple cubic lattice. If we define an effective exchange-interaction parameter ${U}_{\mathrm{eff}}$ as the $k=0$ reversed-spin self-energy for $U\ensuremath{\rightarrow}\ensuremath{\infty}$, divided by the number $n\ensuremath{\uparrow}$ of up-spin electrons per site, we find that the present result departs rather rapidly from the Kanamori result as $n\ensuremath{\uparrow}$ is increased, and it is concluded that the Kanamori result overestimates the increase in ${U}_{\mathrm{eff}}$ with $n\ensuremath{\uparrow}$, at least in the present case. For intermediate values of $n\ensuremath{\uparrow}$, the two-pole approximation of the previous article and the present calculation give very similar results for this quantity.

Physical Review•Oct 10, 1969•59 citations

Electron Correlations in the Nagaoka State on the Square Lattice -Three-Body Correlations-

Jun-ichi Igarashi, Manabu Takahashi, Tatsuya Nagao

A three-body scattering theory previously proposed by one of the present authors is developed to be applied to the saturated ferromagnetic state in the two-dimensional Hubbard model. The single-particle Green's function is calculated by taking account of the multiple scattering between two electrons and one hole. Several limiting cases are discussed and the relation to the variational principle is examined. The importance of the three-body correlation is demonstrated in comparison with the results of the ladder approximation. A possible phase boundary for the Nagaoka ground state is presented for the square lattice, which improves the previous variational results.

arXiv:cond-mat/9902221•Journal of the Physical Society of Japan•Nov 15, 1999•8 citations
Electron correlation is studied in the special case of a single reversed spin in an otherwise fully aligned band in the one-dimensional Hubbard model for the purpose of examining our previous theory which exactly takes account of the three-body correlation. The importance of the three-body correlation is demonstrated through a comparison of our results with those of exact theories. The ground-state energy and the single particle spectra are in good agreement with McGuire-Lieb-Wu's exact solution and also with exact numerical solutions for finite size systems over a wide range of the intraatomic Coulomb integral and the electron number. The properties of the ground state are studied in detail through the calculation of pair correlation functions.
We investigate the ground state (T = 0 K) of the one-dimensional symmetrical (n = 1) Hubbard model formalized in terms of the system of integral equations, which we previously obtained using the method of the generating functional of Green’s functions with the subsequent Legendre transformation. In a wide range of variations in the parameter of Coulomb interaction U, the following characteristics of the system have been calculated: the electron density of states, the electron band spectrum, the number of doubly occupied lattice sites, the localized magnetic moment, the correlator of the square of the longitudinal component of spin at a site,<S Z 2>, and the internal energy of the system. It has been shown that, for all U > 0, the model yields two solutions, i.e., an antiferromagnetic insulator and a paramagnetic insulator, in which there are no single-electron quasi-particles at the Fermi level. The energy of the paramagnetic solution in the region of U < 1.1 is considerably less than that of the antiferromagnetic solution for the case of U > 1.1, we have the opposite situation.
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix ${\ensuremath{\gamma}}_{\mathrm{ij}}$ with respect to the lattice sites is considered as the basic variable of the many-body problem. A new approximation to the interaction-energy functional $W[\ensuremath{\gamma}]$ is proposed which is based on its scaling properties and which recovers exactly the limit of strong electron correlations at half-band filling. In this way, a more accurate description of W is obtained throughout the domain of representability of ${\ensuremath{\gamma}}_{\mathrm{ij}},$ including the crossover from weak to strong correlations. As examples of applications results are given for the ground-state energy, charge-excitation gap, and charge susceptibility of the Hubbard model in one-, two-, and three-dimensional lattices. The performance of the method is demonstrated by comparison with available exact solutions, with numerical calculations, and with LDFT using a simpler dimer ansatz for W. Goals and limitations of the different approximations are discussed.
The one-dimensional Hubbard model is studied for general electron densities and large U. On the basis of the coupled integral equations of Lieb and Wu exact asymptotic expansions are derived to fifth order in ${U}^{\mathrm{\ensuremath{-}}1}$ for the ground-state energy, the kinetic energy, and the number of doubly occupied sites. A closed-form expression for the distribution functions of charge and spin degrees of freedom is proposed which yields the same large-U expansion as that derived directly from the Lieb-Wu equations. Our analytical results are in excellent agreement with previous numerical studies.
Three-body problem involving two valence holes and a single conduction electron, which appears in the study of the final state of the resonant photoemission in insulators and semiconductors, is formulated to be solved exactly in a two-band Hubbard model by use of Faddeev's scattering theory. The wave functions and energy eigenvalues are calculated numerically in a one-dimensional model. By use of this exact solution of the three-body problem, resonance photoemission spectra are studied from a weak correlation resion to a strong one. It is shown that the approximation used in the past analysis, in which two valence holes are assumed to be localized, deviates from the present results even in the strong correlation region U v v ∼2 W v with U v v and W v denoting the Coulomb integral and the band width of valence holes, respectively.
In a previous paper, a new Green's-function decoupling scheme was applied to the Hubbard Hamiltonian, and an improved version of Hubbard's first approximation was obtained. That result did not reduce to the correct low-density limit as obtained by Kanamori. In the present article, the theory is improved for the special case of a single reversed spin in an otherwise fully aligned band, and the improved theory is correct in the low-density limit. Numerical results are presented for the simple cubic lattice. If we define an effective exchange-interaction parameter Ueff{U}_{\mathrm{eff}}Ueff​ as the k=0k=0k=0 reversed-spin self-energy for $U\ensuremath{\rightarrow}\ensuremath{\infty}$, divided by the number $n\ensuremath{\uparrow}$ of up-spin electrons per site, we find that the present result departs rather rapidly from the Kanamori result as $n\ensuremath{\uparrow}$ is increased, and it is concluded that the Kanamori result overestimates the increase in Ueff{U}_{\mathrm{eff}}Ueff​ with $n\ensuremath{\uparrow}$, at least in the present case. For intermediate values of $n\ensuremath{\uparrow}$, the two-pole approximation of the previous article and the present calculation give very similar results for this quantity.
A three-body scattering theory previously proposed by one of the present authors is developed to be applied to the saturated ferromagnetic state in the two-dimensional Hubbard model. The single-particle Green's function is calculated by taking account of the multiple scattering between two electrons and one hole. Several limiting cases are discussed and the relation to the variational principle is examined. The importance of the three-body correlation is demonstrated in comparison with the results of the ladder approximation. A possible phase boundary for the Nagaoka ground state is presented for the square lattice, which improves the previous variational results.