We study the time evolution of the Nelson model in a mean-field limit in which [Formula: see text] nonrelativistic bosons weakly couple (with respect to the particle number) to a positive or zero mass quantized scalar field. Our main result is the derivation of the Bogoliubov dynamics and higher-order corrections. More precisely, we prove the convergence of the approximate wave function to the many-body wave function in norm, with a convergence rate proportional to the number of corrections taken into account in the approximation. We prove an analogous result for the unitary propagator. As an application, we derive a simple system of partial differential equations describing the time evolution of the first- and second-order approximations to the one-particle reduced density matrices of the particles and the quantum field, respectively.
The work herein is concerned with developing computational models to understand molecules. The underlying theme of this research is the reassessment of zeroth-order approximations for higher-level methods. For second-order Moller-Plesset theory (MP2), qualitative failures of the Hartree-Fock orbitals in the form of spin contamination can lead to catastrophic errors in the second order energies. By working with orbitals optimized in the presence of correlations, orbital-optimized MP2 can fix the spin contamination problem that plague radicals, aromatics, and transition metal complexes. In path integral Monte Carlo for vibrational energies, the zeroth-order propagator is typically chosen to be the most general possible, the free particle propagator; we chose to be informed by the molecular structure we have already attained and apply a propagator based on the harmonic modes of the molecule, improving sampling efficiency and our Trotter approximation.
Hedin's equations provide an elegant route to compute the exact one-body Green's function (or propagator) via the self-consistent iteration of a set of nonlinear equations. Its first-order approximation, known as
GW, corresponds to a resummation of ring diagrams and has shown to be extremely successful in physics and chemistry. Systematic improvement is possible, although challenging, via the introduction of vertex corrections. Considering anomalous propagators and an external pairing potential, we derive a self-consistent set of closed equations equivalent to the famous Hedin equations but having as a first-order approximation, the particle-particle (pp)
T-matrix approximation, where one performs a resummation of the ladder diagrams. This pp version of Hedin's equations offers a way to go systematically beyond the
T-matrix approximation by accounting for low-order pp vertex corrections.