Related papers: Fully Symmetrized VB Based Technique for Solving E…
We propose a method for measuring spin Hamiltonians and apply it to the spin-1/2 Heisenberg antiferromagnet Cs2CuCl4, which shows a 2D fractionalized RVB state at low fields. By applying strong fields we fully align the spin moment of…
Using an ensemble of atoms in an optical cavity, we engineer a family of nonlocal Heisenberg Hamiltonians with continuously tunable anisotropy of the spin-spin couplings. We thus gain access to a rich phase diagram, including a…
The synthesis of molecular magnets has undergone rapid progress in recent years. Each of the identical molecular units can contain as few as two and up to several dozens of paramagnetic ions (spins). Although these materials appear as…
It is demonstrated that the magnetic interactions can be drastically different for nano-sized systems compared to those of bulk or surfaces. Using a real-space formalism we have developed a method to calculate non-collinear magnetization…
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…
We present a basis-set-free approach to the variational quantum eigensolver using an adaptive representation of the spatial part of molecular wavefunctions. Our approach directly determines system-specific representations of qubit…
Using an effective Hamiltonian including the Zeeman and internal interactions, we describe the quantum theory of magnetization dynamics when the spin system evolves non-adiabatically and out of equilibrium. The Lewis-Riesenfeld dynamical…
We study the behavior of the magnetization and the magnetic susceptibility of molecular magnets with complex bridging structure. Our computations are based on a post-Hartree-Fock method accounting for the intricate network of interatomic…
Keeping in view the ordering ambiguity that arises due to the presence of position-dependent effective mass in the kinetic energy term of the Hamiltonian, a general scheme for obtaining algebraic solutions of quantum mechanical systems with…
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 present a technique to map an electronic model with local interactions (a generalized multi-orbital Hubbard model) onto an effective model of interacting classical spins, by requiring that the thermodynamic potentials associated to spin…
The construction of the Hamiltonian matrix \textbf{H} is an essential, yet computationally expensive step in \textit{ab-initio} device simulations based on density-functional theory (DFT). In homogeneous structures, the fact that a unit…
The perfect quenching of spin tunneling first predicted for a model with biaxial symmetry, and recently observed in the magnetic molecule Fe_8, is further studied using the discrete phase integral (or Wentzel-Kramers-Brillouin) method. The…
We develop generalization of the fixed-phase diffusion Monte Carlo method for Hamiltonians which explicitly depend on particle spins such as for spin-orbit interactions. The method is formulated in zero variance manner and is similar to…
Accurate exchange-correlation (XC) potentials are essential for density functional theory, yet reliable approximations remain challenging for strongly correlated systems. In this work, we present a quantum algorithmic framework to determine…
We propose a trajectory-based method for simulating nonadiabatic dynamics in molecular systems with two coupled electronic states. Employing a quantum-mechanically exact mapping of the two-level problem to a spin-1/2 coherent state, we…
Electric fields are increasingly used for coherently manipulating spin states in semiconductor and molecular systems. Here we discuss the spin manipulation allowed by the modulation of the main parameters entering the Hamiltonians of…
The quasi-neutral hybrid model with kinetic ions and fluid electrons is a promising approach for bridging the inherent multi-scale nature of many problems in space and laboratory plasmas. Here, a novel, implicit, particle-in-cell based…
Mixed quantum-classical spin systems have been proposed in spin chain theory and, more recently, in magnon spintronics. However, current models of quantum-classical dynamics beyond mean-field approximations typically suffer from…
In truncated coupled-cluster (CC) theories, non-variational and/or generally complex ground-state energies can occur. This is due to the non-Hermitian nature of the similarity transformed Hamiltonian matrix in combination with CC…