Finite Temperature Coupled Cluster Theories for Extended Systems.
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DOI: 10.1021/acs.jctc.8b00793
Abstract: At zero temperature, coupled cluster theories are widely used to predict total energies, ground state expectation values, and even excited states for molecules and extended systems. However, for systems with a small band gap, such… read more here.
Keywords: cluster theories; temperature; extended systems; coupled cluster ... See more keywords