相关论文: Spin-constrained Hartree-Fock and the generator co…
In the limit of infinite spatial dimensions a thermodynamically consistent theory, which is valid for arbitrary value of the Coulombic interaction ($U<\infty$), is built for the Hubbard model when the total auxiliary single-site problem…
We study the breaking of spin symmetry for the nonlinear Hartree-Fock model describing an infinite translation-invariant interacting quantum gas (fluid phase). At zero temperature and for the Coulomb interaction in three space dimensions,…
We present a systematic derivation of effective lattice spin Hamiltonians derived from a rotationally invariant multi-orbital Hubbard model including a term ensuring Hund's rule coupling. The Hamiltonians are derived down-folding the…
I show that spin-charge separation in 2-D t-J model leads to an increase of kinetic energy. Using a sum rule, I derive an exact expression for the lowest possible KE (E_{bound}) for any state without doubly occupied sites. KE of relevant…
We report a ground-state solution for the two-dimensional fermionic Hubbard model, which is obtained via a numerical variational method. The two ingredients in this approach are tensor network states and the time-evolving block decimation.…
Based on a symmetry argument, we systematically reveal Hartree-Fock broken-symmetry solutions of the one-dimensional two-band extended Peierls-Hubbard model. Performing numerical investigations as well, the possibility of novel density-wave…
This work is aimed at the multiconfigurational Hartree-Fock calculations of the Er ionization energy. Authors have used the ATSP MCHF version in which there are new codes for calculation of spin-angular parts written on the basis of the…
We use our recently developed functional renormalization group (FRG) approach for quantum spin systems to investigate the phase diagram of the frustrated $J_{1}J_{2}J_{3}$ quantum Heisenberg model on a cubic lattice. From a simple…
We study the zero-temperature spin fluctuations of a two-dimensional itinerant-electron system with an incommensurate magnetic ground state described by a single-band Hubbard Hamiltonian. We introduce the (broken-symmetry) magnetic phase at…
Four-component Dirac Hartree--Fock is an accurate mean-field method for treating molecular systems where relativistic effects are important. However, the computational cost and complexity of the two-electron interaction makes this method…
The self-consistent field method utilized for solving the Hartree-Fock (HF) problem and the closely related Kohn-Sham problem, is typically thought of as one of the cheapest methods available to quantum chemists. This intuition has been…
A computer code is presented for solving the equations of Hartree-Fock-Bogoliubov (HFB) theory by the gradient method, motivated by the need for efficient and robust codes to calculate the configurations required by extensions of HFB such…
Fourth-order strong-coupling degenerate perturbation theory is used to derive an effective low-energy Hamiltonian for the Kondo-lattice model with a depleted system of localized spins. In the strong-J limit, completely local Kondo singlets…
Quantum Monte Carlo method is used to study the coupled spin-pseudospin Hamiltonian in one-dimension (1D) that models the charge-ordering instability of the anisotropic Hubbard ladder at quarter filling. We calculate the temperature…
We consider symmetry-projected Hartree--Fock trial wave functions in constrained-path Monte Carlo (CPMC) calculations. Previous CPMC calculations have mostly employed Hartree--Fock (HF) trial wave functions, restricted or unrestricted. The…
We consider a two-dimensional geometrically frustrated integer-spin Heisenberg system that admits an exact ground state. The system corresponds to a decorated square lattice with two coupling constants J1 and J2, and it can be understood as…
Motivated by the recent discovery of Fe-based superconductors close to an antiferromagnetic insulator in the experimental phase diagram, here the five-orbital Hubbard model (without lattice distortions) is studied using the real-space…
Antiferromagnetic and charge ordered Hartree-Fock solutions of the one-band Hubbard model with on-site and nearest-neighbor Coulomb repulsions are exactly mapped onto an auxiliary local Kohn-Sham (KS) problem within a density-functional…
A simple and commonly employed approximate technique with which one can examine spatially disordered systems when strong electronic correlations are present is based on the use of real-space unrestricted self-consistent Hartree-Fock wave…
We investigate spin and orbital states of the two-orbital Hubbard model on a square lattice by using a variational Monte Carlo method at quarter-filling, i.e., the electron number per site is one. As a variational wave function, we consider…