244 citations · 2.2k across the 66 of their papers we have counts for
7 papers · 1 filter
Testing the GFCCSD impurity solver on real materials within the self-energy embedding theory framework
Chia-Nan Yeh, Avijit Shee, Sergei Iskakov +1
We apply the Green's function coupled cluster singles and doubles (GFCCSD) impurity solver to realistic impurity problems arising for strongly correlated solids within the self-ene…
Electron correlations in cubic paramagnetic perovskite Sr(V,Mn)O -- Results from fully self-consistent self-energy embedding calculations
Chia-Nan Yeh, Sergei Iskakov, Dominika Zgid +1
In this work, we use the thermodynamically consistent and conserving self-energy embedding theory (SEET) to study the spectra of the prototypical undistorted cubic perovskites SrVO…
Dynamical Self-energy Mapping (DSEM) for quantum computing
Diksha Dhawan, Mekena Metcalf, Dominika Zgid
For noisy intermediate-scale quantum (NISQ) devices only a moderate number of qubits with a limited coherence is available thus enabling only shallow circuits and a few time evolut…
Sparse-Hamiltonian approach to the time evolution of molecules on quantum computers
Christina Daniel, Diksha Dhawan, Dominika Zgid +1
Quantum chemistry has been viewed as one of the potential early applications of quantum computing. Two techniques have been proposed for electronic structure calculations: (i) the…
Error propagation in the fully self-consistent stochastic second-order Green's function method
Blair Winograd, Emanuel Gull, Dominika Zgid
We present an implementation of a fully self-consistent finite temperature second order Green's function perturbation theory (GF2) within the diagrammatic Monte Carlo framework. In…
Ab-Initio self-energy embedding for the photoemission spectra of NiO and MnO
Sergei Iskakov, Chia-Nan Yeh, Emanuel Gull +1
The accurate ab-initio simulation of periodic solids with strong correlations is one of the grand challenges of condensed matter. While mature methods exist for weakly correlated s…
Legendre-spectral Dyson equation solver with super-exponential convergence
Xinyang Dong, Dominika Zgid, Emanuel Gull +1
Quantum many-body systems in thermal equilibrium can be described by the imaginary time Green's function formalism. However, the treatment of large molecular or solid ab inito prob…