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pdf, 9 MiB - Infoscience - EPFL

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Appendix B<br />

A Simple variational<br />

wavefunction for a pair of<br />

particles<br />

We consider in this Appendix a simple variational wavefunction for the threeband<br />

Hubbard model on a simple CuO 4 cluster. We study the more general<br />

variational wavefunction for a S z = 0 pair of holes, that is :<br />

( ( ) )<br />

∑<br />

|ψ〉 = αd † ↑ d† ↓ + β j d † ↑ p† j↓ − γ jd † ↓ p† j↑<br />

+ λ ij p † i↑ p† j↓<br />

|0〉 (B.1)<br />

j<br />

where d stands for the d x2−y2 orbital and p for the p σ orbitals. The current<br />

operator measured in this wavefunction is given for a d − p link by:<br />

(<br />

〈j d−px 〉 = it d−px α † (γ x + β x )+ ∑ (<br />

β † j λ xj + γ † j jx) )<br />

λ + c.c. (B.2)<br />

j<br />

and the current operator measured along a p x − p y link by:<br />

(<br />

〈j px−py 〉 = it px−py β xβ † y + γ xγ † y + ∑ (<br />

λ † xj λ yj + λ † jx jy) )<br />

λ + c.c. (B.3)<br />

j<br />

Similar equations hold for bonds obtained by 90 ◦ rotations. The current will<br />

therefore be finite when α, β, γ and λ ij are complex numbers: α = R a e ia , β x,y =<br />

Re ibx,y , γ x,y = Re icx,y and λ ij = L ij e il ij<br />

.<br />

〈j d−px 〉 =2t d−px<br />

(R a R sin(c x − a)+R a R sin(b x − a)<br />

+ ∑ )<br />

(RL xj sin(l xj − b j )+RL jx sin(l jx − c j ))<br />

j<br />

(B.4)<br />

191

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