6 papers
Hybrid Hamiltonian-diagrammatic quantum impurity solver
Yang Yu, Gaurav Harsha, Lei Zhang +4
Quantum impurity models, which describe the coupling between interacting orbitals and a non-interacting bath, play a central role in the physics of strongly correlated electron sys…
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…
Discovering topological phases in gray-Tin
Gaurav Harsha, Selina Dirnböck, Emanuel Gull +2
Non-trivial topological phases often emerge in narrow-gap semiconductors with a delicate blend of spin-orbit coupling and electron correlation. The diamond-lattice allotrope of Sn…
Performance of wave function and Green's functions based methods for non equilibrium many-body dynamics
Cian C. Reeves, Gaurav Harsha, Avijit Shee +5
Theoretical descriptions of non equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on truncation of the expansion of the m…
Green/WeakCoupling: Implementation of fully self-consistent finite-temperature many-body perturbation theory for molecules and solids
Sergei Iskakov, Chia-Nan Yeh, Pavel Pokhilko +10
The accurate ab initio simulation of molecules and periodic solids with diagrammatic perturbation theory is an important task in quantum chemistry, condensed matter physics, and ma…
Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals
Gaurav Harsha, Vibin Abraham, Ming Wen +1
We present a comparison of various approximations to self-consistency in the GW method, including the one-shot G0W0 method, different quasiparticle self-consistency schemes, and th…