116 citations · 255 across the 14 of their papers we have counts for
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Dynamically Corrected Bethe-Salpeter Equation Solver for Self-consistent Reference on the Matsubara Frequency Axis
Ming Wen, Gaurav Harsha, Dominika Zgid
We present a Bethe-Salpeter equation (BSE) solver based on a self-consistent reference evaluated on the Matsubara frequency axis, referred to as BSE@sc. The self-consisten…
Challenges with relativistic GW calculations in solids and molecules
Gaurav Harsha, Vibin Abraham, Dominika Zgid
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic eff…
Relativistic fully self-consistent for molecules: Total energies and ionization potentials
Vibin Abraham, Gaurav Harsha, Dominika Zgid
The fully self-consistent (sc) method with the iterative solution of Dyson equation provides a consistent approach for describing the ground and excited states without any…
Comparing self-consistent GW and vertex corrected G0W0 (G0W0Γ) accuracy for molecular ionization potentials
Ming Wen, Vibin Abraham, Gaurav Harsha +3
We test the performance of self-consistent GW and several representative implementations of vertex corrected G0W0 (G0W0Γ). These approaches are tested on benchmark data sets coveri…
Wave function methods for canonical ensemble thermal averages in correlated many-fermion systems
Gaurav Harsha, Thomas M. Henderson, Gustavo E. Scuseria
We present a wave function representation for the canonical ensemble thermal density matrix by projecting the thermofield double state against the desired number of particles. The…
Thermofield theory for finite-temperature coupled cluster
Gaurav Harsha, Thomas M. Henderson, Gustavo E. Scuseria
We present a coupled cluster and linear response theory to compute properties of many-electron systems at non-zero temperatures. For this purpose, we make use of the thermofield dy…
Thermofield Theory for Finite-Temperature Quantum Chemistry
Gaurav Harsha, Thomas M. Henderson, Gustavo E. Scuseria
Thermofield dynamics has proven to be a very useful theory in high-energy physics, particularly since it permits the treatment of both time- and temperature-dependence on an equal…