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pdf, 9 MiB - Infoscience - EPFL

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160 CHAPTER 6. ORBITAL CURRENTS IN THE CUPRATES<br />

0.0<br />

(E-E Gutzwiller<br />

)/N Copper<br />

-0.1<br />

-0.2<br />

-0.3<br />

-0.4<br />

JA/FLUX, 192 sites<br />

JA, 192 sites<br />

FLUX, 192 sites<br />

SDW, 192 sites<br />

FLUX, 108 sites<br />

0.00<br />

0.05<br />

0.10<br />

0.15<br />

0.20<br />

0.25<br />

hole doping n<br />

h<br />

0.30<br />

0.35<br />

0.40<br />

Figure 6.16: Energy difference between the different variational Ansatz and the<br />

Gutzwiller wavefunction. Open boundary conditions are assumed in these calculations.<br />

a ring coupled to an external flux [143] is minimized in finite-size rings at integer<br />

values of the flux quanta. The ring can be seen as a one dimensional chain with<br />

periodic boundary conditions and therefore it has also in this case a net current<br />

running through the boundary conditions. In conclusion, models with artificial<br />

flux through the boundary conditions are known to introduce corrections to the<br />

energy for finite-size clusters. Therefore, the small energy optimization of the<br />

JA/FLUX wavefunction could well be due to a finite-size effect. However, there<br />

is a subtle but crucial difference between comparing the energy of the groundstates<br />

of Hamiltonians with different periodic/anti-periodic conditions, or having<br />

different flux imposed, and comparing for a given model the energy of different<br />

variational wavefunction. In the former case, the parameters of the model are<br />

changed, and a finite flux through the boundary conditions is stabilized in the<br />

ground state. But this flux is already introduced in the original Hamiltonian, and<br />

it is natural to observe it in the ground state. In the latter case, the Hubbard<br />

Hamiltonian does not contain any flux originally, but the variational Ansatz opti-

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