Related papers: Spin-orbit coupling matrix elements from the expli…
Using group theory and Kane-like $\mathbf{k\cdot p}$ model together with the L\"owdining partition method, we derive the expressions of spin-orbit coupling of electrons and holes, including the linear-$k$ Rashba term due to the intrinsic…
Spin-orbit coupling links a particle's velocity to its quantum mechanical spin, and is essential in numerous condensed matter phenomena, including topological insulators and Majorana fermions. In solid-state materials, spin-orbit coupling…
A review of methods for finding general expressions for matrix elements (non-diagonal with respect to configurations included) of any one- and two-particle operator for an arbitrary number of shells in an atomic configuration is given.…
We investigate the influence of spin-orbit coupling $\lambda$ in strongly-correlated multiorbital systems that we describe by a three-orbital Hubbard-Kanamori model on a Bethe lattice. We solve the problem at all integer fillings $N$ with…
We present a new high-order coupled cluster method (CCM) formalism for the ground states of lattice quantum spin systems for general spin quantum number, $s$. This new ``general-$s$'' formalism is found to be highly suitable for a…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
I report on an implementation of an algorithm for the automated numerical calculation of spin- and colour-correlated Born matrix elements in QCD. These spin- and colour-correlated matrix elements are needed for NLO calculations in…
Spin-orbit coupling in crystals is known to lead to unusual direction dependent exchange interactions, however understanding of the consequeces of such effects in molecular crystals is incomplete. Here we perform four component relativistic…
We discuss the problem of spin-orbit interaction in a 2D chaotic or diffusive quantum dot in the presence of exchange correlations. Spin-orbit scattering breaks spin rotation invariance, and in the crossover regime between different…
We have developed a relativistic coupled-cluster theory to incorporate nuclear spin-dependent interaction Hamiltonians perturbatively. In this theory, the coupled-cluster operators in the electronic sector are defined as tensor operators of…
In this work we present a coupled-cluster theory for the propagation of multireference electronic systems initiating at general quantum mechanical states. Our formalism is based on the infinitesimal analysis of modified cluster operators,…
We introduce affordable computational strategies for calculating orbital and pair-orbital energies in atomic and molecular systems. Our methods are based on the pair Coupled Cluster Doubles (pCCD) ansatz and its orbital-optimized variant.…
In a reaction to excite the resonant state followed by the sequential cluster-decay, the in-plane angular correlation method is usually applied to determine the spin of the mother nucleus. However, the correlation pattern exhibited in a…
In this paper, we first rework B. Kaufman's 1949 paper, "Crystal Statistics. II. Partition Function Evaluated by Spinor Analysis", by using representation theory. Our approach leads to a simpler and more direct way of deriving the spectrum…
Evolution of composite spin-orbital order and coupled spin-orbital excitations is studied in a variety of $d^4$ systems with $n$=$4$ electrons in the $t_{2g}$ orbital sector using the generalised self-consistent + fluctuations approach for…
The coupled-cluster method is applied to the spin-1/2 antiferromagnetic XXZ model on a square lattice by employing an approximation which contains two-body long-range correlations and high-order four-body local correlations. Improvement is…
The state of quantum systems, their energetics, and their time evolution is modeled by abstract operators. How can one visualize such operators for coupled spin systems? A general approach is presented which consists of several shapes…
We discuss computational aspects of the spherical coupled-cluster method specific to the nuclear many-body problem. Using chiral nucleon-nucleon interaction at next-to-next-to-next-to leading order (N3LO) with cutoff Lambda = 500MeV, we…
In this article, we present new results of high-order coupled cluster method (CCM) calculations, based on a N\'eel model state with spins aligned in the $z$-direction, for both the ground- and excited-state properties of the spin-half {\it…
A unified approach is presented for investigating coupled spin-orbital fluctuations within a realistic three-orbital model for strongly spin-orbit coupled systems with electron fillings $n=3,4,5$ in the $t_{2g}$ sector of…