+1 vote
asked by (250 points)

Hi everyone

Recently I've been trying to calculate some observable in Kitaev honeycomb model (Kitaev 2006) using ITensor DMRG. One important result to check out is the flux operator Wp whose ground state expectation should be Wp = +1 as calculated analytically by Kitaev himself.

However, I found that sometimes I cannot retrieve this number in dmrg. For example, in a 24-site system shown below:
Wp consists of the 6 sites on the boundary of the shaded region
following the tutorial and other advices, the multi-point correlation for [s2 s3 s4 s7 s8 s9] is calculated using the following code:

    ITensor Sz_2 = op(sites, "Sx", 2);
    ITensor Sz_3 = op(sites, "Sy", 3);
    ITensor Sz_4 = op(sites, "Sz", 4);
    ITensor Sz_7 = op(sites, "Sz", 7);
    ITensor Sz_8 = op(sites, "Sy", 8);
    ITensor Sz_9 = op(sites, "Sx", 9);


    ITensor C = psi(2);
    C *= Sz_2;  // with primed physical index
    auto ir = commonIndex(psi(2),psi(3),"Link");
    C *= dag(prime(prime(psi(2), "Site"), ir));

    C *= psi(3);
    C *= Sz_3;
    C *= dag(prime(prime(psi(3), "Site"), "Link"));

    C *= psi(4);
    C *= Sz_4;
    C *= dag(prime(prime(psi(4), "Site"), "Link"));

    C *= psi(5);
    C *= dag(prime(psi(5), "Link"));

    C *= psi(6);
    C *= dag(prime(psi(6), "Link"));

    C *= psi(7);
    C *= Sz_7;
    C *= dag(prime(prime(psi(7), "Site"), "Link"));

    C *= psi(8);
    C *= Sz_8;
    C *= dag(prime(prime(psi(8), "Site"), "Link"));

    C *= psi(9);
    C *= Sz_9;
    auto il = commonIndex(psi(8),psi(9),"Link");
    C *= dag(prime(prime(psi(9), "Site"), il));

    auto results = eltC(C * 64);  // spin-1/2 to pauli matrix by 2^6

where I have contracted site 5,6 directly since there's no operator acting on them. But this gives a wrong number Wp = -0.18 instead of +1; even though all 2-site operator are correct.

On the other hand, if I reorder the site indices so that the first 6 continuous sites in MPS correspond to the Wp operator, as shown below:
enter image description here
where Wp = [s1 s2 s3 s4 s5 s6], then I got the correct expectation Wp = +1 by the same token.

It is curious to me that the order of sites makes such a huge difference, though both ordering gave the same ground state energy. I would like to understand the crux of this problem (maybe I missed some trivial stuff) before I implement more nested correlators in dmrg.

Could someone give any suggestions? Thank you.

1 Answer

0 votes
answered by (70.1k points)

Thanks for the interesting question. That is puzzling, because it looks like you are doing everything correctly and should get +1 in both cases, assuming that your MPS really does describe the same wavefunction.

I don't know the answer off the top of my head, because this is more in the category of like "numerical bugs" where one has to try out different things to resolve the mystery, but I could suggest some ideas.

1) you could try making the W operator using our AutoMPO tool and then taking the expected value of the resulting MPO. What answer do you get that way?

2) are there other properties, like two-point correlation functions, you can also compute to ensure that you really are getting the same wavefunction? Even though they have the same energy, because you are using two different 2D paths, it could be that DMRG is finding a different solution for each path, something like a funny superposition of ground states (assuming there is a ground state degeneracy, which I'm not sure is a correct assumption or not – you'd have to remind me)

3) could you try on a smaller ladder, with only one hexagon in the y-direction?

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