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This question is about modelling quantum transport of a single excitation across a network of $N$ sites, subject to incoherent processes where the excitation is lost from the network. The Hamiltonian of such a network can be written $$ H_0 = \sum_{m=1}^N E_m \lvert m\rangle\langle m\rvert + \sum_{m,n} J_{mn} \lvert m\rangle\langle n\rvert, $$
where $\vert m\rangle$ is the state with the excitation localised on site $m$, $E_m$ is the local energy on site $m$, and $J_{mn}$ are the tunneling matrix elements between sites $m$ and $n$. In order to model loss of the excitation from the network, one can supplement the Hamiltonian with non-Hermitian terms, e.g. $$H_\mathrm{loss} = \sum_m \frac{\Gamma_m}{2\mathrm{i}}\lvert m \rangle \langle m \rvert. $$ These lead to loss of population from site $m$ at a rate $\Gamma_m$. However, the evolution under a non-Hermitian Hamiltonian does not preserve the trace of the density matrix. This feature makes the model difficult to simulate using certain pre-packaged numerical differential equation solvers.

Is it possible to model excitation loss in a quantum network via a manifestly trace-preserving equation of motion (e.g. a Lindblad equation)?

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Excitation loss can be modelled using a Lindblad equation (with a Hermitian Hamiltonian) which is guaranteed to be trace-preserving. However, one must work in a slightly larger Hilbert space. In particular, we need to introduce one more state, the vacuum state $\lvert \mathrm{vac} \rangle$, representing the situation where there is no excitation in the network. Excitation loss is then modelled by an incoherent process which transfers population to the vacuum state.

The non-Hermitian Hamiltonian $H_\mathrm{loss}$ should be replaced by a Lindblad generator $$ \mathcal{L}_\mathrm{loss} (\rho) = \sum_m \Gamma_m \left ( L_m \rho L_m^\dagger - \frac{1}{2} \lbrace L^\dagger_m L_m,\rho \rbrace\right),$$ where $\rho$ is the density matrix and $L_m = \lvert \mathrm{vac}\rangle\langle m \rvert$. Each Lindblad operator $L_m$ represents incoherent loss at site $m$.

How do we prove that these formulations are equivalent? Let's first see how the non-Hermitian formulation works. The Schroedinger equation for the state ket $\lvert \psi\rangle$ is ($\hbar =1$) $$ \frac{\mathrm{d}}{\mathrm{d}t}\lvert \psi\rangle = -\mathrm{i}(H_0 + H_\mathrm{loss}) \lvert \psi\rangle = \left(-\mathrm{i}H_0 - \sum_m \frac{\Gamma_m}{2} \Pi_m \right) \lvert \psi\rangle, $$ where $\Pi_m = \lvert m \rangle \langle m \rvert$. The evolution of the state bra $\langle \psi\rvert$ is given by the Hermitian conjugate of the above equation. From these one derives the von-Neumann equation for the density matrix $$ \frac{\mathrm{d}\rho}{\mathrm{d}t} = -\mathrm{i}[H_0,\rho] - \sum_m\frac{\Gamma_m}{2}\{\Pi_m,\rho\}.$$

It is easier to work in the Heisenberg picture, where the equation of motion for an operator $A$ can be found using $$ \frac{\mathrm{d}\langle A\rangle}{\mathrm{d}t} = \mathrm{Tr} \left[ A \frac{\mathrm{d}\rho}{\mathrm{d}t} \right ] = \mathrm{Tr} \left[\frac{\mathrm{d}A}{\mathrm{d}t} \rho \right ]. $$ From this we deduce $$ \frac{\mathrm{d}A}{\mathrm{d}t} = \mathrm{i}[H_0,A] - \sum_m\frac{\Gamma_m}{2}\{\Pi_m,A\}.$$ To see that the anti-commutator implies excitation loss, let's ignore $H_0$ for the moment (i.e. set $H_0 = 0$). Then the population of site $m$ is given by the solution of $$ \frac{\mathrm{d}\langle \Pi_m\rangle}{\mathrm{d}t} = -\Gamma_m \langle \Pi_m\rangle,$$ or in other words $\langle \Pi_m\rangle(t) = \mathrm{e}^{-\Gamma_m t}\langle \Pi_m\rangle(0)$. The population of each site decays exponentially at a rate $\Gamma_m$. This obviously leads to a decay of the total probability (i.e. the trace of the density matrix) in time: $$ \mathrm{Tr} [\rho(t)] = \sum_m \langle \Pi_m\rangle(t) = \sum_m \mathrm{e}^{-\Gamma_m t}\langle \Pi_m\rangle(0).$$

Now examine the Lindblad equation $$ \frac{\mathrm{d}\rho}{\mathrm{d}t} = -\mathrm{i}[H_0,\rho] + \mathcal{L}_\mathrm{loss}(\rho).$$ In the Heisenberg picture, one finds $$ \frac{\mathrm{d}A}{\mathrm{d}t} = \mathrm{i}[H_0,A] + \mathcal{L}_\mathrm{loss}^\dagger(A),$$ where the adjoint Liouvillian is $$ \mathcal{L}^\dagger_\mathrm{loss} (A) = \sum_m \Gamma_m \left ( L_m^\dagger A L_m - \frac{1}{2} \lbrace L^\dagger_m L_m,A \rbrace\right).$$

This generates the same dynamics as the non-Hermitian formulation in the single-excitation subspace. (The single-excitation subspace is spanned by the set of states with one excitation, i.e. the states {$\lvert m \rangle\}$.) To prove this, we show that the Heisenberg equation for any population or coherence in the single excitation subspace (i.e. any operator $\lvert m\rangle \langle n\rvert$) is the same in either formulation. This follows because $L_k^\dagger \lvert m\rangle \langle n\rvert L_k = 0$ for all $k, m, n$. Any operator $A_1$ acting in the single-excitation subspace can be represented as a linear combination of the operators $\lvert m\rangle \langle n\rvert$, and therefore $$ \frac{\mathrm{d}A_1}{\mathrm{d}t} = \mathrm{i}[H_0,A_1] - \sum_m\frac{\Gamma_m}{2}\{\Pi_m,A_1\}.$$ This proves that the two formulations give identical results for observables in the single-excitation subspace.

However, the equation of motion for the population of the vacuum state is $$\frac{\mathrm{d}}{\mathrm{d}t} \langle \lvert \mathrm{vac} \rangle\langle \mathrm{vac}\rvert \rangle = \sum_m \Gamma_m \langle \Pi_m\rangle, $$ which shows that the single-excitation populations $\langle \Pi_m\rangle$ act as an (incoherent) source term for the vacuum population. This ensures preservation of the trace.

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  • $\begingroup$ Little bit off, just curious, is it correct to use $H_{eff}=H_0+H_{loss}$ to calculate any thermodynamic quantities. Such as the partition function $Z~\exp(-\beta H_{eff})$? $\endgroup$
    – donnydm
    Commented Mar 15, 2018 at 6:37
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    $\begingroup$ @donnydm No, I wouldn't say so. The problem is that $\exp (-\beta H_{\rm eff})$ is not even a Hermitian operator and therefore doesn't qualify as an equilibrium state. The non-Hermitian evolution only describes a sub-ensemble conditioned on (in this case) there being one excitation in the network. The full ensemble also includes the case where there are no excitations, and so should the equilibrium state too. $\endgroup$ Commented Mar 15, 2018 at 10:54

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