88 citations · 200 across the 7 of their papers we have counts for
21 papers
Analytical Continuation of Matrix-Valued Functions: Carathéodory Formalism
Jiani Fei, Chia-Nan Yeh, Dominika Zgid +1
Finite-temperature quantum field theories are formulated in terms of Green's functions and self-energies on the Matsubara axis. In multi-orbital systems, these quantities are relat…
Material specific optimization of Gaussian basis sets against plane wave data
Yanbing Zhou, Emanuel Gull, Dominika Zgid
Since in periodic systems, a given element may be present in different spatial arrangements displaying vastly different physical and chemical properties, an elemental basis set tha…
Interpretation of multiple solutions in fully iterative GF2 and GW schemes using local analysis of two-particle density matrices
Pavel Pokhilko, Dominika Zgid
Due to non-linear structure, iterative Green's function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function metho…
Evaluation of two-particle properties within finite-temperature self-consistent one-particle Green's function methods: theory and application to GW and GF2
Pavel Pokhilko, Sergei Iskakov, Chia-Nan Yeh +1
One-particle Green's function methods can model molecular and solid spectra at zero or non-zero temperatures. One-particle Green's functions directly provide electronic energies an…
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…
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…