  We present an efficient ab initio dynamical mean-field theory (DMFT)
implementation for quantitative simulations in solids. Our DMFT scheme employs
ab initio Hamiltonians defined for impurities comprising the full unit cell or
a supercell of atoms and for realistic quantum chemical basis sets. We avoid
double counting errors by using Hartree-Fock as the low-level theory. Intrinsic
and projected atomic orbitals (IAO+PAO) are chosen as the local embedding
basis, facilitating numerical bath truncation. Using an efficient integral
transformation and coupled-cluster Green's function (CCGF) impurity solvers, we
are able to handle embedded impurity problems with several hundred orbitals. We
apply our ab initio DMFT approach to study a hexagonal boron nitride monolayer,
crystalline silicon, and nickel oxide in the antiferromagnetic phase, with up
to 104 and 78 impurity orbitals in spin-restricted and unrestricted cluster
DMFT calculations and over 100 bath orbitals. We show that our scheme produces
accurate spectral functions compared to both benchmark periodic coupled-cluster
computations and experimental spectra.
