Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree–Fock theory

Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory.

Our previously developed constrained-pairing mean-field theory (CPMFT) is shown to map onto an unrestricted Hartree-Fock (UHF) type method if one imposes a corresponding pair constraint to the correlation problem that forces occupation numbers to occur in pairs adding to one. In this new version, CPMFT has all the advantages of standard independent particle models (orbitals and orbital energies...

Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities.

The recently proposed constrained-pairing mean-field theory (CPMFT) is here extended to include exchange and correlation effects from density functional theory (DFT) via alternative densities. We transform from alpha and beta spin densities to alternatives based on the total and on-top pair densities. This transformation is needed because CPMFT produces correct spin-symmetry and space-symmetry ...

Embedded mean-field theory.

We introduce embedded mean-field theory (EMFT), an approach that flexibly allows for the embedding of one mean-field theory in another without the need to specify or fix the number of particles in each subsystem. EMFT is simple, is well-defined without recourse to parameters, and inherits the simple gradient theory of the parent mean-field theories. In this paper, we report extensive benchmarki...

Dynamical mean-field theory

From Naive Mean Field Theory to the

2 We give a basic introduction to three diierent MF approaches which will be discussed on a more advanced level in other chapters of this book. We discuss the Variational, the Field Theoretic and the TAP approaches and their applications to a Boltzmann machine type of Ising model.