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Five years of density matrix embedding theory

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S. Wouters, C. A. Jiménez-Hoyos, G. K.-L. Chan
Wiley
2017
B2

ISBN 

978-111912924-0

Short content 

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.

http://arxiv.org/abs/1605.05547

PDF icon 1605.05547v1.pdf

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