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We present the results of Gaussian-based ground-state and excited-stateequation-of-motion coupled-cluster theory with single and double excitationsfor three-dimensional solids. We focus on diamond and silicon, which areparadigmatic covalent semiconductors. In addition to ground-state properties(the lattice constant, bulk modulus, and cohesive energy), we compute thequasiparticle band structure and band gap. We sample the Brillouin zone with upto 64 k-points using norm-conserving pseudopotentials and polarized double- andtriple-zeta basis sets, leading to canonical coupled-cluster calculations withas many as 256 electrons in 2,176 orbitals.

Gaussian-based coupled-cluster theory for the ground state and band structure of solids