Related papers: Charge-transfer from Regularized Symmetry-Adapted …
The low degradability of common polymers composed of light elements, results in a serious impact on the environment, which has become an urgent problem to be solved. As the reverse process of monomer polymerization, what deviates…
We study spectral and transport properties of one-dimensional tight-binding $\mathcal{PT}$-symmetric chains with alternating couplings. Based on the transfer matrix method, we have analytically developed the expressions for the transmission…
General properties of the transport of charge carriers (electrons and holes) in disordered organic materials are discussed. It was demonstrated that the dominant part of the total energetic disorder in organic material is usually provided…
In the classical model of atomic polarizability, atomic charges are displaced by an applied electric field, assuming the electron cloud remains spherically symmetric but with its center shifted from the nucleus, thereby inducing an electric…
The microscopic theory of chemical reactions is based on transition state theory, where atoms or ions transfer classically over an energy barrier, as electrons maintain their ground state. Electron transfer is fundamentally different and…
Polarization transfers are crucial building blocks in magnetic resonance experiments, i.e., they can be used to polarize insensitive nuclei and correlate nuclear spins in multidimensional NMR spectroscopy. The polarization can be…
The interaction of polarized light with a spin in the presence of dissipation is shown to be equivalent to a spin transfer process that can cause switching. In plasmas, the spin transfer is dominated by a spin-spin exchange term while at…
A transfer matrix scaling technique is developed for randomly diluted systems, and applied to the site-diluted Ising model on a square lattice in two dimensions. For each allowed disorder configuration between two adjacent columns, the…
The exchange contribution to the energy of the hydrogen atom interacting with a proton is calculated from the polarization expansion of the wave function using the conventional surface-integral formula and two formulas involving volume…
(WORDS: QUANTUM DOTS, COLLECTIVE TRANSPORT, PHYSICAL EXAMPLE OF KPZ) Collective charge transport is studied in one- and two-dimensional arrays of small normal-metal dots separated by tunnel barriers. At temperatures well below the charging…
The properties of current-carrying steady states of strongly correlated systems away from the linear-response regime are of topical interest. In this article, we review the renormalized perturbation theory, or renormalized SPT of reference…
Many chemical reactions can be formulated in terms of particle diffusion in a complex energy landscape. Transition path theory (TPT) is a theoretical framework for describing the direct (reaction) pathways from reactant to product states…
Effect of energetic disorder on charge carrier transport in organic materials has been reexamined. A reliable method for mobility calculation and subsequent evaluation of relevant disorder parameters has been discussed. This method is well…
Various phase transitions in models for coupled charge-density waves are investigated by means of the $\epsilon$-expansion, mean-field theory, and Monte Carlo simulations. At zero temperature the effective action for the system with…
A systematic study of the transport energy in disordered organic semiconductors based on variable range hopping theory has been presented here. The temperature, electric field, material disorder and carrier concentration dependent transport…
Force fields uniquely assign interatomic forces for a given set of atomic coordinates. The underlying assumption is that electrons are in their quantum-mechanical ground state or in thermal equilibrium. However, there is an abundance of…
The magnetic bipolar transistor (MBT) is a bipolar junction transistor with an equilibrium and nonequilibrium spin (magnetization) in the emitter, base, or collector. The low-injection theory of spin-polarized transport through MBTs and of…
Charge-transfer effect under odd-parity crystalline electric field (CEF) is analyzed theoretically. In quantum-critical metal $\beta$-YbAlB$_4$, seven-fold configuration of B atoms surrounding Yb atom breaks local inversion symmetry at the…
Simulating water accurately has been a challenge due to the complexity of describing polarization and intermolecular charge transfer. Quantum mechanical (QM) electronic structures provide an accurate description of polarization in response…
Idealized glass transitions are discussed within a novel mode-coupling theory (TMCT) proposed by Tokuyama(Physica A 395,31(2014)). This is done in order to identify common grounds with and differences to the conventional mode-coupling…