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added reference to theory.md
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angelariva authored Apr 30, 2024
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Expand Up @@ -55,10 +55,7 @@ This makes its representation as a Matrix Product Operator (MPO) and the represe

The orthogonal polynomial-based chain mapping and the subsequent representation of the joint wave-function as a MPS (and the operators as MPO) are the building blocks of the Time-dependent Density operator with Orthonormal Polynomials Algorithm (TEDOPA) one of the state-of-the-art numerically exact method to simulate the dynamics of open quantum systems especially in the non-Markovian, non-perturbative regimes both at zero and finite temperatures [^prior_efficient_2010][^woods_simulating_2015][^tamascelli_efficient_2019][^dunnett_simulating_2021][^lacroix_unveiling_2021].

### Finite Temperature

Explain that by extending the bath to negative frequencies and having temperature-dependent system environment couplings, it is possible to describe the finite temperature case as an effective zero temperature one.
Hence, we can keep the pure state description and avoid moving to density matrices at the cost of doubling the size of the environment.
### Finite Temperature with T-TEDOPA

Assuming a unitary evolution for both the system and environment, the system's dynamics can be isolated by tracing out the environmental degrees of freedom. The density operator for the system at time $t$ is described as:

Expand All @@ -78,7 +75,7 @@ The system's evolution is dictated by the environment's two-time correlation fun
\hat{S}(t) = \int_0^\infty d\omega J(\omega)\left[e^{-i\omega t}(1 + \hat{n}_\omega(\beta)) + e^{i\omega t} \hat{n}_\omega(\beta)\right],
```

To simulate finite temperature effects using a zero-temperature model, we extend the spectral density function to cover both positive and negative frequencies, allowing us to use a pure state description for the environment. This is achieved by defining a new spectral density function $J(\omega, \beta)$ that incorporates the Boltzmann factors, supporting the entire real axis:
To simulate finite temperature effects using a zero-temperature model with the T-TEDOPA method [^tamascelli_efficient_2019], we extend the spectral density function to cover both positive and negative frequencies, allowing us to use a pure state description for the environment. This is achieved by defining a new spectral density function $J(\omega, \beta)$ that incorporates the Boltzmann factors, supporting the entire real axis:

```math
J(\omega, \beta) = \frac{\text{sign}(\omega)J(\left|\omega\right|)}{2} \Big(1 + \coth\Big(\frac{\beta \omega}{2}\Big)\Big).
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