Published 2019
| Version v1
Journal article
Projected density matrix embedding theory with applications to the two-dimensional Hubbard model
Creators
- 1. University of California, Berkeley, CA (United States)
- 2. California Institute of Technology (CalTech), Pasadena, CA (United States)
Description
Density matrix embedding theory (DMET) is a quantum embedding theory for strongly correlated systems. From a computational perspective, one bottleneck in DMET is the optimization of the correlation potential to achieve self-consistency, especially for heterogeneous systems of large size. We introduce a new approach, called projected DMET (p-DMET), which achieves self-consistency without needing to optimize the correlation potential. We demonstrate the performance of p-DMET on the two-dimensional Hubbard model.
Availability note (English)
Available from https://www.osti.gov/servlets/purl/1572045; https://www.osti.gov/biblio/1572045; DOE Accepted Manuscript full text, or the publishers Best Available Version will be available free of charge after the embargo periodAdditional details
Identifiers
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 151
- Journal Issue
- 6
- Journal Page Range
- vp.
- ISSN
- 0021-9606
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 53046605
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- CORRELATIONS; DENSITY MATRIX; HUBBARD MODEL; OPTIMIZATION
- Descriptors DEC
- CRYSTAL MODELS; MATHEMATICAL MODELS; MATRICES
Optional Information
- Contract/Grant/Project number
- AC02-05CH11231; SC0017867; CAMERA
- Funding organization
- USDOE Office of Science - SC (United States); US Air Force Office of Scientific Research (AFOSR) (United States); National Science Foundation (NSF) (United States)
- Secondary number(s)
- OSTIID--1572045