Timothy Berkelbach (Columbia & Flatiron Institute)

Ab initio wavefunction-based quantum chemistry represents a tantalizing alternative to density functional theory for problems in materials science, due to the former's ability to achieve high accuracy with systematic improvability. I will give an overview of our group's research efforts in this direction, describing theoretical and methodological developments at the periodic Hartree-Fock and post-Hartree-Fock levels (especially perturbation theory and coupled-cluster theory) and connections to popular Green's function-based techniques such as the random-phase...