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Spectral Functions of the Uniform Electron Gas via Coupled-Cluster Theory and Comparison to the and Related Approximations
James McClain, Johannes Lischner, Thomas Watson +5
We use, for the first time, ab initio coupled-cluster theory to compute the spectral function of the uniform electron gas at a Wigner-Seitz radius of . The coupled-…
Binding energies and spatial structures of small carrier complexes in monolayer transition metal dichalcogenides via diffusion Monte Carlo
Matthew Z. Mayers, Timothy C. Berkelbach, Mark S. Hybertsen +1
Ground state diffusion Monte Carlo is used to investigate the binding energies and carrier probability distributions of excitons, trions, and biexcitons in a variety of two-dimensi…
Extending the applicability of Redfield theories into highly non-Markovian regimes
Andrés Montoya-Castillo, Timothy C. Berkelbach, David R. Reichman
We present a new, computationally inexpensive method for the calculation of reduced density matrix dynamics for systems with a potentially large number of subsystem degrees of free…
Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition-metal dichalcogenides
Timothy C. Berkelbach, Mark S. Hybertsen, David R. Reichman
We discuss the linear and two-photon spectroscopic selection rules for spin-singlet excitons in monolayer transition-metal dichalcogenides. Our microscopic formalism combines a ful…