Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Gibbs state tempo #92

Closed
aidanstrathearn opened this issue May 31, 2023 · 2 comments
Closed

Gibbs state tempo #92

aidanstrathearn opened this issue May 31, 2023 · 2 comments
Labels
enhancement New feature or request priority Important to get done soon
Milestone

Comments

@aidanstrathearn
Copy link
Contributor

Hi all,

It would be good to have an implementation of TEMPO for finding reduced gibbs states, as in PhysRevA.106.012204.

I think the main requirements are:

  1. A backend that has the initial state state as an optional argument, with the initial input leg left dangling off the side of the propagated mps if no initial state given. This would also allow the standard TEMPO algorithm to have the option to calculate dynamical maps rather than just dynamics of an initial state (though maybe not as efficiently as PT-TEMPO).
  2. A new class in the tempo.py module using the new backend which will output a single density matrix representing the reduced gibbs state. Since the reduced gibbs state is nominally the steady state of standard TEMPO a nicer option might be to implement it as a 'compute_steady_state' method of the existing Tempo class.
  3. A correlations class which can handle imaginary time arguments.

I've made a start by creating a correlations class which lets you pass complex arguments to the bath correlation function, giving the same outputs as CustomSD when restricting to real time arguments. It also calculates the eta coefficients without needing the integrand dictionary that CustomSD uses.

My branch for this: https://github.com/aidanstrathearn/OQuPy/tree/gibbs_state

Aidan

@gefux
Copy link
Member

gefux commented Jun 5, 2023

Hi @aidanstrathearn. Yes, as we've discussed, this would be a great addition to the package.
Maybe you give us (the maintainers) a ring here when you think you have a first prototype code, then we can look at it together and discuss a bit over some video conference platform.
Happy coding!

@gefux gefux assigned gefux and unassigned gefux Jan 27, 2024
@gefux gefux added the enhancement New feature or request label Jan 27, 2024
@gefux gefux added this to the version 0.5 milestone Jan 27, 2024
@gefux gefux added the priority Important to get done soon label Jan 27, 2024
@gefux
Copy link
Member

gefux commented Jun 19, 2024

Implemented with #131

@gefux gefux closed this as completed Jun 19, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
enhancement New feature or request priority Important to get done soon
Projects
None yet
Development

No branches or pull requests

2 participants