Group Interpretation of the Complex Spin

S.S. Sannikov

Luigi Borasi

In this article, we are concerned with “finite dimensional fermions,” by which we mean vectors in a finite dimensional complex space embedded in the exterior algebra over itself. These fermions are spinless but possess the characterizing anticommutativity property. We associate invariant complex vector fields on the Lie group Spin(2n + 1) to the fermionic creation and annihilation operators. These vector fields are elements of the complexification of the regular representation of the Lie algebra so(2n+1). As such, they do not satisfy the canonical anticommutation relations; however, once they have been projected onto an appropriate subspace of L2(Spin(2n + 1)), these relations are satisfied. We define a free time evolution of this system of fermions in terms of a symmetric positive-definite quadratic form in the creation–annihilation operators. The realization of fermionic creation and annihilation operators brought by the (invariant) vector fields allows us to interpret this time evolution in terms of a positive self-adjoint operator that is the sum of a second order operator, which generates a stochastic diffusion process, and a first order complex operator, which strongly commutes with the second order operator. A probabilistic interpretation is given in terms of a Feynman–Kac-like formula with respect to the diffusion process associated with the second order operator.

V. I. Roginskii

Christopher Johannes Stein, Dimitrios A. Pantazis, Vera Krewald

A new tool for the interpretation of multiconfigurational wave functions representing the spin states of exchange-coupled transition metal complexes is introduced. Based on orbital entanglement measures, herein derived from multiconfigurational density matrix renormalization group calculations, the complexity of the wave function is reduced, thus facilitating a connection with established concepts for the interpretation of magnetically coupled systems. We show that the entanglement of localized orbitals with a small basis set is a good representation of the magnetic coupling topology and that it is sensitive to chemical changes in homologous complexes. Furthermore, we introduce a measure for the magnetic relevance of orbitals in the active subspace and a concept for the quantitative comparison of different chemical species. The approach presented here will be easily applicable to higher nuclearity clusters, providing a direct insight into all states of the Heisenberg spin ladder for systems previously accessible only by single-configurational methods.

V Sinivee

Austin Blaquière