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arXiv · 1605.05547

Five years of density matrix embedding theory

Sebastian Wouters·Carlos A. Jiménez-Hoyos·Garnet K. -L. Chan
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Abstract

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.

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Sebastian Wouters, Carlos A. Jiménez-Hoyos, Garnet K. -L. Chan. 2016-03-31. Five years of density matrix embedding theory. https://doi.org/10.1002/9781119129271.ch8

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