Dynamical Self-energy Mapping (DSEM) for Creation of Sparse Hamiltonians Suitable for Quantum Computing.
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In this paper, a dynamical self-energy mapping (DSEM) algorithm is proposed to find a sparse Hamiltonian representation for molecular problems, which can reduce the depth of the quantum circuit by an order of magnitude when compared with simulations involving a full Hamiltonian.Abstract:
We present a two-step procedure called the dynamical self-energy mapping (DSEM) that allows us to find a sparse Hamiltonian representation for molecular problems. In the first part of this procedure, the approximate self-energy of a molecular system is evaluated using a low-level method and subsequently a sparse Hamiltonian is found that best recovers this low-level dynamic self-energy. In the second step, such a sparse Hamiltonian is used by a high-level method that delivers a highly accurate dynamical part of the self-energy that is employed in later calculations. The tests conducted on small molecular problems show that the sparse Hamiltonian parameterizations lead to very good total energies. DSEM has the potential to be used as a classical-quantum hybrid algorithm for quantum computing where the sparse Hamiltonian containing only O(n2) terms on a Gaussian orbital basis, where n is the number of orbitals in the system, could reduce the depth of the quantum circuit by at least an order of magnitude when compared with simulations involving a full Hamiltonian.read more
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Dynamical correlations in multiorbital Hubbard models: fluctuation exchange approximations
Václav Drchal,Václav Janiš,Josef Kudrnovský,V. S. Oudovenko,V. S. Oudovenko,Xi Dai,Kristjan Haule,Gabriel Kotliar +7 more
TL;DR: It is found that, unlike in the one-band case, in the multiband case, good agreement with the quantum Monte Carlo results is obtained within the electron-electron T-matrix approximation using the full renormalization of theOne-particle propagators.
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Dynamical correlations in multiorbital Hubbard models: Fluctuation-exchange approximations
Václav Drchal,Václav Janiš,J. Kudrnovsky,V. S. Oudovenko,Xi Dai,Kristjan Haule,Gabriel Kotliar +6 more
TL;DR: In this article, the two band degenerate Hubbard model using the Fluctuation Exchange approximation (FLEX) method was investigated and compared with Quantum Monte-Carlo calculations.
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Minimum hardware requirements for hybrid quantum-classical DMFT
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TL;DR: In this paper, the authors numerically emulate noisy intermediate-scale quantum (NISQ) devices and determine the minimal hardware requirements for two-site hybrid quantum-classical dynamical mean field theory (DMFT).