Skip to article frontmatterSkip to article content
Site not loading correctly?

This may be due to an incorrect BASE_URL configuration. See the MyST Documentation for reference.

Hubbard model in canonical ensemble.

This Hamiltonian extends the standard implementation of the Hubbard model with energetically imposed constraints that for calculations in the canonical ensemble and fixed z-component of total spin.

H^=H^Hub+λC(N^NParticle)2+λS(S^zSz)2\hat{H} = \hat{H}_{\text{Hub}} + \lambda_C \left( \hat{N} - N_{\text{Particle}}\right)^2 + \lambda_S \left( \hat{S}^{z} - S^{z}\right)^2

In the above,

N^=i,n,δc^i,n,δc^i,n,δ\hat{N} = \sum_{i,n,\delta} \hat{c}^{\dagger}_{i,n,\delta} \hat{c}^{}_{i,n,\delta}

and

S^z=12i,n,n,δc^i,n,δσn,nzc^i,n,δ\hat{S}^z = \frac{1}{2}\sum_{i,n,n',\delta} \hat{c}^{\dagger}_{i,n,\delta} \sigma^{z}_{n,n'}\hat{c}^{}_{i,n',\delta}

The default values of NParticleN_{\text{Particle}} and SzS^z are Sz=0S^z = 0 and NParticle=NNOrbN_{\text{Particle}} = N \cdot N_{\text{Orb}}, corresponding to half-filling. Here NN corresponds to the number of unit cells and NOrbN_{\text{Orb}} the number of orbitals per unit cell.

In the present implementation, the projection onto the Sz=0S^z =0 subspace generates a mild sign problem. For the 4-site chain at U/t=4U/t=4 and βt=2\beta t = 2 the QMC energy in the Sz=0S^z=0 and N=4N=4 sector gives 1.8137±0.0035-1.8137 \pm 0.0035 and the ED result is -1.8100613 so that the present version of the code seems to work.

Here are the required entries for the parameter file.

&VAR_ham_name
ham_name = "Hubbard_Can"
/

and

&VAR_Hubbard_Can            !! Variables for the specific model
Mz         = .F.            ! When true, sets the M_z-Hubbard model: Nf=2, demands that
                            ! N_sun is even, HS field couples to the z-component of
                            ! magnetization; otherwise, HS field couples to the density
Continuous = .F.            ! Uses (T: continuous; F: discrete) HS transformation
ham_T      = 1.d0           ! Hopping parameter
ham_chem   = 0.d0           ! Chemical potential
ham_U      = 4.d0           ! Hubbard interaction
ham_Lambda_c = 5.00         ! Projection Charge
ham_Lambda_s = 20.00        ! Projection Spin
ham_T2     = 1.d0           ! For bilayer systems
ham_U2     = 4.d0           ! For bilayer systems
ham_Tperp  = 1.d0           ! For bilayer systems
/