Five years of density matrix embedding theory

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.

Invited chapter in 'Fragmentation: Toward Accurate Calculations on Complex Molecular Systems' edited by Mark Gordon. Preprint PDF rendered with chapter number 1, published chapter number will differ

References in corpus (7)

• A practical guide to density matrix embedding theory in quantum chemistry
• Multireference Correlation in Long Molecules with the Quadratic Scaling Density Matrix Renormalization Group
• Spatially inhomogeneous phase in the two-dimensional repulsive Hubbard model
• Dynamical Mean-Field Theory for Quantum Chemistry
• Cluster Density Matrix Embedding Theory for Quantum Spin Systems
• Density matrix embedding theory for interacting electron-phonon systems
• Geminal embedding scheme for optimal atomic basis set construction in correlated calculations

Cited by in corpus (11)

• Exactly-embedded multiconfigurational self-consistent field theory using density matrix embedding: the localized active space self-consistent field method
• Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?
• The Variational Localized Active Space Self-Consistent Field Method
• Rigorous wave function embedding with dynamical fluctuations
• Energy-weighted density matrix embedding of open correlated chemical fragments
• Bootstrap Embedding on a Quantum Computer
• Quantum embedding of multi-orbital fragments using the Block-Householder-transformation
• Multiple impurities and combined local density approximations in Site-Occupation Embedding Theory
• Fragment quantum embedding using the Householder transformation: a multi-state extension based on ensembles
• Local Potential Functional Embedding Theory of Molecular Systems: Localized Orbital-Based Embedding from an Exact Density-Functional Perspective
• Density Matrix Embedding Theory and Strongly Correlated Lattice Systems