Related papers: Semiclassical Spin Exchange via Temperature-Depend…
We study the spin-dependent stereodynamics of the S + H2 -> SH + H reaction using full-dimensional quantum dynamics calculations with zero total nuclear angular momentum along the triplet 3A" states and singlet 1A' states. We find that the…
Spatial multiscale methods have established themselves as useful tools for extending the length scales accessible by conventional statics (i.e., zero temperature molecular dynamics). Recently, extensions of these methods, such as the…
The effect of exchange interactions within spin pairs on spin-dependent transport and recombination rates through localized states in semiconductors during coherent electron spin resonant excitation is studied theoretically. It is shown…
We present a state-space-based path integral method to calculate the rate of electron transfer (ET) in multi-state, multi-electron condensed-phase processes. We employ an exact path integral in discrete electronic states and continuous…
Starting from the multiorbital Hubbard model for the t2g-bands of RTiO3 (R= Y, Gd, Sm, and La), where all parameters have been derived from the first-principles calculations, we construct an effective superexchange (SE) spin model, by…
Quantum energy transfer in a chain of two-level (spin) units, connected at its ends to two thermal reservoirs, is analyzed in two limits: (i) In the off-resonance regime, when the characteristic subsystem excitation energy gaps are larger…
A kinetic one-dimensional Ising model is coupled to two heat baths, such that spins at even (odd) lattice sites experience a temperature $T_{e}$ ($% T_{o}$). Spin flips occur with Glauber-type rates generalised to the case of two…
We propose a general scheme for inducing resonant exchange between spins or pseudo-spins of unmatched levels via periodic driving. The basic idea is illustrated for a system of two heteronuclear atoms, for which analytical results are…
We investigate the classical counterpart of an effective Hamiltonian for a strongly trimerized kagome lattice. Although the Hamiltonian only has a discrete symmetry, the classical groundstate manifold has a continuous global rotational…
The spin-dynamics of two alkali atoms in an optical tweezer is driven by spin-changing collisions that couple the spin-state of the atoms to their relative motion. This paper experimentally studies the resulting spin-states when the…
We investigate the effect of ring-exchange on the ground-state properties and magnetic excitations of the $S = 1/2$ Heisenberg model on the anisotropic triangular lattice with ring-exchange at $T = 0$ using linear spin-wave theory.…
We report on {\it ab initio} time-dependent spin dynamics simulations for a two-center magnetic molecular complex based on time-dependent non-collinear spin density functional theory. In particular, we discuss how the dynamical behavior of…
Spin crossover molecules have recently emerged as a family of compounds potentially useful for implementing molecular spintronics devices. The calculations of the electronic properties of such molecules is a formidable theoretical challenge…
We study a bottleneck spin model with $N$ spins, split into two Curie-Weiss models at low temperature with a bottleneck between them. We propose multiple ways of how to realize such a bottleneck and study its influence on the phase…
We study the interatomic exchange interactions and Curie temperatures in half-metallic semi Heusler compounds NiCrZ (Z=P, Se, Te) and NiVAs. The study is performed within the framework of density functional theory. The calculation of…
Manipulation of spin states at the single-atom scale underlies spin-based quantum information processing and spintronic devices. Such applications require protection of the spin states against quantum decoherence due to interactions with…
We analyze the unitary time evolution of a conduction electron, described by a two-level system, interacting with two-level systems (spins) through a spin-spin interaction and prove that coherent spin states of the conduction electron are…
We investigate the asymptotic behaviour of spin-spin correlation functions for the integrable Heisenberg chain. To this end we use the Quantum Transfer Matrix (QTM) technique developed in \cite{AK} which results in a set of non-linear…
Semiclassical instanton theory is a form of quantum transition-state theory which can be applied to computing thermal reaction rates for complex molecular systems including quantum tunneling effects. There have been a number of attempts to…
We present a joint experimental and theoretical study of spin dynamics of a single $^{88}$Sr$^+$ ion colliding with an ultracold cloud of Rb atoms in various hyperfine states. While spin-exchange between the two species occurs after 9.1(6)…