search

issp-center-dev / mVMC

A numerical solver package for a wide range of quantum lattice models based on many-variable Variational Monte Carlo method
http://www.pasums.issp.u-tokyo.ac.jp/mvmc/en/
GNU General Public License v3.0
59 stars 19 forks source link

Complex transition matrix? #14

Closed nikita-astronaut closed 4 years ago

nikita-astronaut commented 4 years ago

Dear mVMC developers,

I am interested if one could include complex hoppings in mVMC. Is that possible?

Best wishes, Nikita

tmisawa commented 4 years ago

Dear Nikita,

Yes. You can treat complex hoppings in mVMC. Please see the following link.

https://issp-center-dev.github.io/mVMC/doc/en/html/expert.html#trans-file-trans-def

Best, Takahiro Misawa

nikita-astronaut commented 4 years ago

Dear Takahiro,

thank you very much.

If so, I have another question. In my problem, I have another quantum number conserved (in addition to spin), let us call it flavour, which can take two values. I wish to consider an equally populates flavours wave function. Is it possible to do such things in mvmc? This requires initialisation of the initial spin configuration, that respects this flavour equal population.

Best wishes, Nikita

tmisawa commented 4 years ago

Dear Nikita

I am sorry for the late response.

I think if you treat equally populate flavour wavefunction, it is necessary to change the code of mVMC. If Monte Carlo sampling is restricted in the space N_A = N_B (N_A is a number of electrons with flavour A), you can treat such a situation.

To do so, it is necessary to modify the functions "VMCMakeSample" and "makeInitialSample" (or related functions).

Best, Takahiro

nikita-astronaut commented 4 years ago

Dear Takahiro,

thank you!