Published 2019 | Version v1
Journal article

Projected density matrix embedding theory with applications to the two-dimensional Hubbard model

  • 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 period

Additional details

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