相关论文: Generalized Holstein model for spin-dependent elec…
We investigate metal-insulator transitions in the Holstein-Hubbard model as a function of the on-site electron-electron interaction U and the electron-phonon coupling g. We use several different numerical methods to calculate the phase…
The heptanuclear complex [Mo(IV)(CN)2(CN-CuL)6]8+ exhibits photomagnetism. An earlier microscopic model showed that the transition dipole moments for excitation in different spin manifolds are similar in magnitude. In this paper, we…
Gravitational and electromagnetic interactions are Hamiltonian systems with forces between pairs of particles. We propose an alternative: Hamiltonian dynamics with triplet interactions between point particles. Our system has a potential…
We analyze changes of the electronic structure of a triangular molecule under the influence of an electric field (i.e., the Stark effect). The effects of the field are shown to be anisotropic and include both a linear and a nonlinear part.…
We theoretically investigate spin-dependent carrier dynamics due to the electron-phonon interaction after ultrafast optical excitation in ferromagnetic metals. We calculate the electron-phonon matrix elements including the spin-orbit…
Detailed analysis of behavior of spin-entangled particle pairs under arbitrary rotations in their Hilbert space has been performed. It shows a rich range of varieties (faces) of entanglement in different bases. Analytic criteria are…
The master equation of one-dimensional three-species reaction-diffusion processes is mapped onto an imaginary-time Schr\"odinger equation. In many cases the Hamiltonian obtained is that of an integrable quantum chain. Within this approach…
Recently there has been much interest in the chirality induced spin selectivity effect, whereby electron spin polarisation, which is dependent on the molecular chirality, is produced in electrode-molecule electron transfer processes.…
The formation and local symmetry of spin-lattice polaron has been investigated semiclassically in the planar Holstein t-J-like models within the exact diagonalization method. Due to the interplay of strong correlations and electron-lattice…
We examine the dependence of the physical quantities of the rotatory molecular motor, such as the rotation velocity and the proton translocation rate, on the chemical reaction rate using the model based only on diffusion process. A peculiar…
The formation of a finite density multipolaronic state is analyzed in the context of the Holstein model using the Dynamical Mean-Field Theory. The spinless and spinful fermion cases are compared to disentangle the polaron crossover from the…
In this work we study the Double Exchange-Holstein (DE-H) model with an electron-phonon interaction $\gamma$ coupled to magnetism. The analysis is performed combining a mean-field approximation for the double exchange interaction and the…
We explored how steric effects influence the rate of hydrogen atom transfer (HAT) reactions between oxyradicals and alkanes. Quantum chemical computations of transition states show that activation barriers and reaction enthalpies are both…
We determine the contributions from the direct Coulomb and exchange interactions to the total interaction in semiconductor artificial atoms. We tune the relative strengths of the two interactions and measure them as a function of the number…
Quasi-optical experiments are emerging as a powerful technique to probe magnetic transitions in molecular spin systems. However, the simultaneous presence of the electric- and magnetic-dipole induced transitions poses the challenge of…
The lowest-lying states of LiH have been widely used to develop and calibrate many different methods in quantum mechanics. In this paper we show that the electron-transfer processes occurring in these two states are a difficult test for…
This article describes our hypothesis on how transmutations may be induced by solid state effects in a crystalline lattice. We discuss the chemical reaction case, our extension to the nuclear binding case, and a tri-body model of a heavy…
The evolution of the properties of a finite density electronic system as the electron-phonon coupling is increased are investigated in the Holstein model using the Dynamical Mean-Field Theory (DMFT). We compare the spinless fermion case, in…
After a brief introduction into the general importance of polarization observables for the analysis of a reaction, the basic density matrix formalism for the description of polarization phenomena is outlined and illustrated by explicit…
This paper presents a theoretical investigation of electron-magnon scattering processes in the ultrafast demagnetization in itinerant ferromagnets. In the framework of a ferromagnetic model system, we compute the spin-dependent dynamics of…