Spin excitations in solids from many-body perturbation theory

Baldassare Di Bartolo

Atri Mukhopadhyay

Abstract In connection with spin adaptation in many‐body perturbation theory, this paper reexamines the use of spin graphs in view of a Hugenholtz‐like representation where both the orbital and the spin parts coexist. Together with the idea of essentially distinct diagrams, this representation leads to an economic handling of spin adaptation. As a side issue, the appropriate generalization of the Epstein–Nesbet partitioning for spin‐adapted perturbation theory is obtained. Compact formulas up to fourth order of the ground‐state energy, and up to third order for excitation energies and ionization potentials are given.

Christoph Friedrich, Arno Schindlmayr

In this lecture we present many-body perturbation theory as a method to determine quasiparticle excitations in solids, especially electronic band structures, accurately from first principles.The main ingredient is the electronic self-energy that, in principle, contains all many-body exchange and correlation effects beyond the Hartree potential.As its exact mathematical expression is unknown, approximations must be used in practical calculations.The approximation is obtained using a systematic algebraic approach on the basis of Green function techniques.It constitutes an expansion of the self-energy up to linear order in the screened Coulomb potential, which describes the interaction between the quasiparticles and includes dynamic screening through the creation of exchange-correlation holes around the bare particles.The implementation of the approximation relies on a perturbative treatment starting from density functional theory.Besides a detailed mathematical discussion we focus on the underlying physical concepts and show some illustrative applications.

Massimo V. Fischetti, William G. Vandenberghe

Sergey A. Beznosyuk, Yu. A. Khon, В. М. Кузнецов +1 more

Lihua Wang

In this dissertation, we use the recently developed Entanglement Perturbation Theory (EPT) to solve antiferromagnetic spin chain problems, for both spin 1/2 and spin 1. We firs use EPT-g (EPT algorithm for ground state) to get the ground state properties. We calculated precisely energies, magnetization and spin-spin correlations. The precision of the long range spin-spin correlation functions for spin 1/2 chains is unprecedented. Due to its special structure, we also use EPT-g to calculate the firs excited state properties for spin 1 chains. Hence we plotted the phase diagram for spin 1 xxz chains. Also a generalization of EPT (EPT-e) for elementary excitation in one dimension determined the spin-triplet magnon spectrum for spin 1 chain for the firs time for the entire Brillouin zone, including the Haldane gap at k = π. The spin chains, the 2D&3D Ising models, the 1D&2D Hubbard models and the Bose-Hubbard model whose study by EPT is recently started represent a variety of strongly correlated many body systems with translational symmetry. Namely EPT is a general method for them. On the other hand, the successful application of EPT-e indicates EPT's potential to study the inhomogeneous quantum systems.