Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Norm M. Tubman, Christopher J. N. Coveney, Chih-En Hsu, Andres Montoya-Castillo, Marina R. Filip | Summary: Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of […]
Continue.. Theory of ab initio downfolding with arbitrary range electron-phonon coupling