Density matrix embedding theory (DMET) describes finite fragments in the presence of a surrounding environment. In contrast to most embedding methods, DMET explicitly allows for quantum entanglement between both. In this chapter, we discuss both the ground-state and response theory formulations of DMET, and review several applications. In addition, a proof is given that the local density of states can be obtained by working with a Fock space of bath orbitals.
@article{arxiv.1605.05547,
title = {Five years of density matrix embedding theory},
author = {Sebastian Wouters and Carlos A. Jiménez-Hoyos and Garnet K. -L. Chan},
journal= {arXiv preprint arXiv:1605.05547},
year = {2018}
}
Comments
Invited chapter in 'Fragmentation: Toward Accurate Calculations on Complex Molecular Systems' edited by Mark Gordon. Preprint PDF rendered with chapter number 1, published chapter number will differ