Wouters, Sebastian and Jiménez-Hoyos, Carlos A. and Chan, Garnet K.-L. (2016) Five years of density matrix embedding theory. . (Submitted) http://resolver.caltech.edu/CaltechAUTHORS:20170131-144148159
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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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| 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. | ||||||||||||
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| Record Number: | CaltechAUTHORS:20170131-144148159 | ||||||||||||
| Persistent URL: | http://resolver.caltech.edu/CaltechAUTHORS:20170131-144148159 | ||||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||||
| ID Code: | 73900 | ||||||||||||
| Collection: | CaltechAUTHORS | ||||||||||||
| Deposited By: | Donna Wrublewski | ||||||||||||
| Deposited On: | 01 Feb 2017 00:31 | ||||||||||||
| Last Modified: | 15 Sep 2017 04:55 |
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