Related papers: Full Spin and Spatial Symmetry Adapted Technique f…
Generally, the first step in modeling molecular magnets involves obtaining the low-lying eigenstates of a Heisenberg exchange Hamiltonian which conserves total spin and belongs usually to a non-Abelian point group. In quantum chemistry, it…
Spin models like the Heisenberg Hamiltonian effectively describe the interactions of open-shell transition-metal ions on a lattice and can account for various properties of magnetic solids and molecules. Numerical methods are usually…
Exploiting inherent symmetries is a common and effective approach to speed up the simulation of quantum systems. However, efficiently accounting for non-Abelian symmetries, such as the $SU(2)$ total-spin symmetry, remains a major challenge.…
We present a proposal for the realization of entanglement Hamiltonians in one-dimensional critical spin systems with strongly interacting cold atoms. Our approach is based on the notion that the entanglement spectrum of such systems can be…
The (group and spin space) matrix Hamiltonian describing the dynamics of a nonrelativistic spin 1/2 particle moving in a static, but spatially dependent, non-Abelian magnetic field in two spatial dimensions is shown to take the form of an…
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…
While quantum devices rely on interactions between constituent subsystems and with their environment to operate, native interactions alone often fail to deliver targeted performance. Coherent pulsed control provides the ability to tailor…
Spin Hamiltonians, like the Heisenberg model, are used to describe magnetic properties of exchange-coupled molecules and solids. For finite clusters, physical quantities such as heat capacities, magnetic susceptibilities or…
A method for deriving superintegrable Hamiltonians with a spin orbital interaction is presented. The method is applied to obtain a new superintegrable system in Euclidean space $\mathbb{E}_3$ with the following properties. It describes a…
We describe how the methods of group theory (symmetry) are used to optimize the problem of exact diagonalization of a quantum system on a 16-site pyrochlore lattice. By analytically constructing a complete set of symmetrized states, we…
The determination of the energy spectra of small spin systems as for instance given by magnetic molecules is a demanding numerical problem. In this work we review numerical approaches to diagonalize the Heisenberg Hamiltonian that employ…
This is the second of two papers devoted to tight-binding electronic spectra on graphs with the topology of the sphere. We investigate the problem of an electron subject to a spin-orbit interaction generated by the radial electric field of…
It is possible to simulate the dynamics of a single spin-$1/2$ ($\mathsf{PT~}$ symmetric) system by conveniently embedding it into a subspace of a larger Hilbert space with unitary dynamics. Our goal is to formulate a many body…
While either spin or point-group adaptation is straightforward when considered independently, the standard technique for factoring isotropic spin Hamiltonians by the total spin S and the irreducible representation of the point-group is…
Many areas of chemistry are devoted to the challenge of understanding, predicting, and controlling the behavior of strongly localized electrons. Examples include molecular magnetism and luminescence, color centers in crystals,…
Local electronic-structure methods in quantum chemistry operate on the ability to compress electron correlations more efficiently in a basis of spatially localized molecular orbitals than in a parent set of canonical orbitals. However, many…
The antiferromagnetic Heisenberg model is considered for spins $s_{i}={1/2}$ located on the vertices of the dodecahedron and the icosahedron, which belong to the point symmetry group $I_{h}$. Taking into account the permutational and spin…
Exact diagonalization and other numerical studies of quantum spin systems are notoriously limited by the exponential growth of the Hilbert space dimension with system size. A common and well-known practice to reduce this increasing…
We use the method of invariants to derive one- and two-band effective Hamiltonians of a noncentrosymmetric two-dimensional electron gas, in the presence of magnetic field. A complete classification of the antisymmetric spin-orbit and…
The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here we present a process for obtaining the…