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Five years of density matrix embedding theory

Wouters, Sebastian and Jiménez-Hoyos, Carlos A. and Chan, Garnet K.-L. (2016) Five years of density matrix embedding theory. . (Submitted)

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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.

Item Type:Report or Paper (Discussion Paper)
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URLURL TypeDescription Paper
Chan, Garnet K.-L.0000-0001-8009-6038
Additional Information:S. W. gratefully acknowledges a Gustave Boël - Sofina - B.A.E.F. postdoctoral fellowship from the King Baudouin Foundation and the Belgian-American Educational Foundation for the academic year 2014-2015, and a postdoctoral fellowship from the Research Foundation Flanders (FondsWetenschappelijk Onderzoek Vlaanderen) for the academic years 2015-2018. G. K.-L. C. acknowledges support from the US Department of Energy through DE-SC0010530. Additional support was provided from the Simons Foundation through the Simons Collaboration on the Many-Electron Problem.
Funding AgencyGrant Number
King Baudouin FoundationUNSPECIFIED
Belgian-American Educational FoundationUNSPECIFIED
Fonds Wetenschappelijk Onderzoek - Vlaanderen (FWO)UNSPECIFIED
Department of Energy (DOE)DE-SC0010530
Simons FoundationUNSPECIFIED
Record Number:CaltechAUTHORS:20170131-144148159
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:73900
Deposited By: Donna Wrublewski
Deposited On:01 Feb 2017 00:31
Last Modified:03 Oct 2019 16:32

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