Quantum embedding of multi-orbital fragments using the block-Householder transformation
Author:
Affiliation:
1. Laboratoire de Chimie Quantique, Institut de Chimie, CNRS/Université de Strasbourg, 4 Rue Blaise Pascal, 67000 Strasbourg, France
2. ICGM, Université de Montpellier, CNRS, ENSCM, Montpellier, France
Abstract
Funder
IdEx Unistra
Descartes Project
IdEx Unistra “Postdoc Researcher”
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0125683
Reference51 articles.
1. Householder-transformed density matrix functional embedding theory
2. Local Potential Functional Embedding Theory: A Self-Consistent Flavor of Density Functional Theory for Lattices without Density Functionals
3. Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory
4. Density Matrix Embedding: A Strong-Coupling Quantum Embedding Theory
5. Quantum Embedding Theories
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