Related papers: Active-Spin-State-Derived Descriptor for Hydrogen …
A practical method for finding free energy barriers for transitions in high-dimensional classical and quantum systems is presented and used to calculate the dissociative sticking probability of H2 on a metal surface within transition state…
High-temperature (high-Tc) superconductivity in the copper oxides arises from electron or hole doping of their antiferromagnetic (AF) insulating parent compounds. The evolution of the AF phase with doping and its spatial coexistence with…
We study the ground state quantum spin fluctuations around the N\'eel ordered state for the one-band ($t,U$) Hubbard model on a site-diluted square lattice. An effective spin Hamiltonian, $H_{\rm s}^{(4)}$, is generated using the canonical…
We present a semi-relativistic model for the description of the ionization process of atomic hydrogen by electron impact in the first Born approximation by using the Darwin wave function to describe the bound state of atomic hydrogen and…
We present a combined theoretical and experimental study of solid-state spin decoherence in an electronic spin bath, focusing specifically on ensembles of nitrogen vacancy (NV) color centers in diamond and the associated substitutional…
The search for highly efficient and low-cost catalysts based on earth abundant elements is one of the main driving forces in organic and inorganic chemistry. Current strategies for the heterogeneous catalyst design focus on increasing the…
Various methods have been explored to prepare the spin-adapted ground state, the lowest energy state within the Hilbert space constrained by externally specified values of the total spin magnitude and the spin-$z$ component. In such problem…
We study the connection between the spin-heat and spin-charge response in a disordered Fermi gas with spin-orbit coupling. It is shown that the ratio between the above responses can be expressed as the thermopower $S=-(\pi…
The advent of powerful laser sources has made it possible to observe a relatively large cross section of the excited state of Hydrogen atom. This is due to the effect of joint collisions of a linearly polarized $N$-photon and high-energy…
We uncover a new type of turbulence -- activity-induced homogeneous and isotropic turbulence in a model that has been employed to investigate motility-induced phase separation (MIPS) in a system of microswimmers. The active…
For an electron spin in coupling with an interacting spin chain via hyperfine-type interaction, we investigate the dynamical evolutions of the pairwise entanglement of the spin chain and a correlation function joined the electron spin with…
We present a theory of the electronic and optical properties of a charged artificial benzene ring (ABR). The ABR is described by the extended Hubbard model solved using exact diagonalization methods in both real and Fourier space as a…
Here we calculate the dynamic susceptibility and dynamic correlation function in spin ice using the model of emergent magnetic monopoles. Calculations are based on a method originally suggested for the description of dynamic processes in…
Different dynamical states ranging from coherent, incoherent to chimera, multichimera, and related transitions are addressed in a globally coupled nonlinear continuum chemical oscillator system by implementing a modified complex…
An effective electronic Hamiltonian for transition metal oxide compounds is presented. For Mn-oxides, the Hamiltonian contains spin-2 ``spins'' and spin-3/2 ``holes'' as degrees of freedom. The model is constructed from the Kondo-lattice…
Spin-orbit interaction is an important vehicle for spin relaxation. At finite temperature lattice vibrations modulate the spin-orbit interaction and thus generate a mechanism for spin-phonon coupling, which needs to be incorporated in any…
Pairwise quantum correlations in the ground state of a N-spins antiferromagnetic chain described by the Heisenberg model with nearest neighbor exchange coupling are investigated. By varying a single coupling between two neighboring sites it…
We investigate the role of Hund's coupling in the spin-wave excitations of the ($\pi, 0$) ordered magnetic state within a five-orbital tight-binding model for iron pnictides. To differentiate between the roles of intraorbital Coulomb…
The use of electric fields to modify chemical reactions is a promising, emerging technique in catalysis. However, there exist few guiding principles, and rational design requires assumptions about the transition state or explicit atomistic…
The dynamics and decoherence of an electronic spin-1/2 qubit coupled to a bath of nuclear spins via hyperfine interactions in a quantum dot is studied. We show how exact results from the integrable solution can be used to understand the…