Maximally Localized Dynamical Quantum Embedding for Solving Many-Body Correlated Systems
We present a quantum embedding methodology to resolve the Anderson impurity model in the context of dynamical mean-field theory, based on an extended exact diagonalization method. Our method provides a maximally localized quantum impurity model, where the non-local components of the correlation potential remain minimal. This comes at a large benefit, as the environment used in the quantum embedding approach is described by propagating correlated electrons and hence offers an exponentially increasing number of degrees of freedom for the embedding mapping, in contrast to traditional free-electron representation where the scaling is linear. We report that quantum impurity models with as few as 3 bath sites can reproduce both the Mott transition and the Kondo physics, thus opening a more accessible route to the description of time-dependent phenomena. Finally, we obtain excellent agreement for dynamical magnetic susceptibilities, poising this approach as a candidate to describe 2-particle excitations such as excitons in correlated systems. We expect that our approach will be highly beneficial for the implementation of embedding algorithms on quantum computers, as it allows for a fine description of the correlation in materials with a reduced number of required qubits.
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Supplementary Information for "Maximally Localized Dynamical Quantum Embedding for Solving Many-Body Correlated Systems"
Posted 25 Sep, 2020
Maximally Localized Dynamical Quantum Embedding for Solving Many-Body Correlated Systems
Posted 25 Sep, 2020
We present a quantum embedding methodology to resolve the Anderson impurity model in the context of dynamical mean-field theory, based on an extended exact diagonalization method. Our method provides a maximally localized quantum impurity model, where the non-local components of the correlation potential remain minimal. This comes at a large benefit, as the environment used in the quantum embedding approach is described by propagating correlated electrons and hence offers an exponentially increasing number of degrees of freedom for the embedding mapping, in contrast to traditional free-electron representation where the scaling is linear. We report that quantum impurity models with as few as 3 bath sites can reproduce both the Mott transition and the Kondo physics, thus opening a more accessible route to the description of time-dependent phenomena. Finally, we obtain excellent agreement for dynamical magnetic susceptibilities, poising this approach as a candidate to describe 2-particle excitations such as excitons in correlated systems. We expect that our approach will be highly beneficial for the implementation of embedding algorithms on quantum computers, as it allows for a fine description of the correlation in materials with a reduced number of required qubits.
Figure 1
Figure 2
Figure 3
Figure 4
Figure 5
Figure 6
Due to technical limitations, full-text HTML conversion of this manuscript could not be completed. However, the latest manuscript can be downloaded and accessed as a PDF.